Sugi Predict

Sugi Predict / Compounds / SCHEMBL786436

SCHEMBL786436

SCHEMBL786436

Clc1ccccc1-c1nc(Cl)c2c(n1)CCCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ BCHE P06276 7/20 0.43
▸ GRIN1 Q05586 6/20 0.43
▸ GRIN2A Q12879 6/20 0.43
▸ ACHE P22303 8/20 0.43
▸ ABCB1 P08183 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CACNB4 O00305 1/20 0.40
▸ CACNA1A O00555 1/20 0.40
▸ SLC22A2 O15244 1/20 0.40

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
SCHEMBL13098221 1.00 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EGAAHPGD
SCHEMBL6077071 0.98 LMNA (0.45) ALDH1A1LMNAKDM4EGAAHPGD
SCHEMBL14529153 0.85 BCHE (0.48) ALDH1A1LMNAKDM4EGAAHPGD
SCHEMBL6076226 0.83 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EGAAHPGD
SCHEMBL779243 0.81 CYP1A2 (0.41) ALDH1A1LMNAKDM4EBCHEACHE
SCHEMBL6076612 0.80 ACHE (0.46) ALDH1A1HPGDMAPTBCHEGRIN1
SCHEMBL3111466 0.80 CYP1A2 (0.41) ALDH1A1LMNAKDM4EACHETSHR
SCHEMBL2624086 0.79 LMNA (0.56) ALDH1A1LMNAKDM4EBCHEGRIN1
SCHEMBL785993 0.77 CYP1A2 (0.41) ALDH1A1LMNAKDM4EACHETSHR
SCHEMBL2273843 0.76 LMNA (0.52) ALDH1A1LMNAKDM4EBCHEACHE

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 49 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-6660731-B2 Alzheimer's disease; anticancer agents; antidiabetic agents VERTEX PHARMACEUTICALS INCORPORATED 2003-12-09 — — US disclosed
US-6638926-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-10-28 — — 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
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 — — 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 ALDH1A1 4461/4885LMNA 2620/4885KDM4E 975/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 ALDH1A1 4256/4885LMNA 4146/4885KDM4E 596/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B ALDH1A1 4367/4885LMNA 2308/4885KDM4E 921/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 ALDH1A1 4768/4885LMNA 3063/4885KDM4E 1040/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B ALDH1A1 4245/4885LMNA 3618/4885KDM4E 605/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B ALDH1A1 4219/4885LMNA 4048/4885KDM4E 1142/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP ALDH1A1 4581/4885LMNA 3347/4885KDM4E 1005/4885

“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.