Sugi Predict

Sugi Predict / Compounds / SCHEMBL785671

SCHEMBL785671

SCHEMBL785671

c1ccc2c(Nc3n[nH]c4ccccc34)nc(N3CCCCC3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.55
▸ HSD17B10 Q99714 6/20 0.55
▸ GLA P06280 5/20 0.55
▸ TSHR P16473 4/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ NPY1R P25929 1/20 0.55
▸ GAA P10253 7/20 0.54
▸ HPGD P15428 5/20 0.54
▸ LMNA P02545 5/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MAPT P10636 4/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ POLB P06746 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL801617 0.82 BCHE (0.50) KDM4EHSD17B10GLATSHRKMT2A
SCHEMBL802206 0.81 KDM4E (0.55) KDM4EHSD17B10GLATSHRKMT2A
SCHEMBL786538 0.81 PAK4 (0.47) KDM4EHSD17B10TSHRGAAHPGD
SCHEMBL3642979 0.80 HRH4 (0.75) KDM4EHSD17B10GLATSHRKMT2A
SCHEMBL5736445 0.80 MAPT (0.56) KDM4EKMT2AALDH1A1NPSR1MAPT
SCHEMBL786519 0.80 PAK4 (0.42) KDM4EHSD17B10GLATSHRKMT2A
Hydrochloric Acid SCHEMBL3641724 0.79 HRH4 (0.73) KDM4EHSD17B10GLATSHRKMT2A
SCHEMBL7031171 0.78 IGF1R (0.62) PAK4PAK1
SCHEMBL786228 0.78 KDM4E (0.57) KDM4EHSD17B10GLATSHRKMT2A
SCHEMBL802188 0.78 KDM4E (0.57) KDM4EHSD17B10GLATSHRKMT2A

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 38 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-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-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 — — US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 — — US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 — — US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 — — 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 — — 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 (8 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 KDM4E 975/4885HSD17B10 3526/4885GLA 2532/4885
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A KDM4E 1621/4885HSD17B10 2364/4885GLA 3341/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 KDM4E 596/4885HSD17B10 3742/4885GLA 1555/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B KDM4E 921/4885HSD17B10 3663/4885GLA 2020/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 KDM4E 1040/4885HSD17B10 3806/4885GLA 1334/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B KDM4E 605/4885HSD17B10 2554/4885GLA 2234/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B KDM4E 1142/4885HSD17B10 2152/4885GLA 3720/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP KDM4E 1005/4885HSD17B10 3227/4885GLA 2995/4885

“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.