Sugi Predict

Sugi Predict / Compounds / SCHEMBL786587

SCHEMBL786587

SCHEMBL786587

O=C(c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)[nH]n1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ TSHR P16473 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ACP1 P24666 2/20 0.48
▸ GSK3A P49840 2/20 0.47
▸ GSK3B P49841 2/20 0.47
▸ MAPT P10636 5/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ AURKA O14965 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ EIF2AK2 P19525 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ ABCC1 P33527 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL785623 0.89 AURKA (0.52) ALDH1A1GSK3AGSK3BMAPTMEN1
SCHEMBL786419 0.82 ABCG2 (0.58) ALDH1A1GSK3AGSK3BMAPTMEN1
SCHEMBL805566 0.82 GSK3A (0.43) LMNAGSK3AGSK3BMAPTMEN1
SCHEMBL786163 0.80 GSK3A (0.56) ALDH1A1GSK3AGSK3BMAPTMEN1
SCHEMBL7256154 0.80 RAB9A (0.44) LMNAGSK3AGSK3BMAPTMEN1
SCHEMBL786198 0.80 RAB9A (0.44) LMNAGSK3AGSK3BMAPTMEN1
SCHEMBL786448 0.79 ABCG2 (0.61) LMNAALDH1A1GSK3AGSK3BMAPT
SCHEMBL786159 0.79 MEN1 (0.61) ALDH1A1GSK3AGSK3BMAPTMEN1
SCHEMBL786031 0.77 ACP1 (0.51) ALDH1A1ACP1GSK3AGSK3BMAPT
SCHEMBL786589 0.77 GSK3B (0.47) ALDH1A1GSK3AGSK3BMAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
US-20040097501-A1 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-05-20 — — US disclosed
US-6696452-B2 GLYCOGEN SYNTHASE KINASE-3 AND AURORA-2 A SERINE/THREONINE PROTEIN KINASE INHIBITORS; ANTIDIABETIC AND ANTICANCER AGENTS AND ALZHEIMER'S DISEASE TREATMENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-02-24 — — US disclosed
US-6660731-B2 Alzheimer's disease; anticancer agents; antidiabetic agents VERTEX PHARMACEUTICALS INCORPORATED 2003-12-09 — — US disclosed
US-6613776-B2 Protein serine/threonine kinase inhibitors used for treating diseases such as cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 — — US disclosed
US-6610677-B2 Enhancing glycogen synthesis, lowering blood levels of glucose, treating colon, ovarian, or breast cancer, treating diabetes, treating schizophrenia VERTEX PHARMACEUTICALS INCORPORATED 2003-08-26 — — US disclosed
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-05-01 — — US disclosed
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 — — US disclosed
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-17 — — US disclosed
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3A LMNA 2620/4885TSHR 1374/4885ALDH1A1 4461/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 LMNA 4146/4885TSHR 1335/4885ALDH1A1 4256/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B LMNA 2308/4885TSHR 2650/4885ALDH1A1 4367/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 LMNA 3063/4885TSHR 710/4885ALDH1A1 4768/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B LMNA 4048/4885TSHR 2282/4885ALDH1A1 4219/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP LMNA 3347/4885TSHR 2073/4885ALDH1A1 4581/4885
US-20040097501-A1 Triazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, AURKC LMNA 2332/4885TSHR 1279/4885ALDH1A1 4615/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.