SCHEMBL5070933

SCHEMBL5070933

Nc1nc(Nc2ccc3cn[nH]c3c2)nnc1-c1n[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 2/20 0.42
▸ GRM4 Q14833 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PAK4 O96013 3/20 0.41
▸ SYK P43405 3/20 0.41
▸ DAPK3 O43293 2/20 0.41
▸ PRKD3 O94806 2/20 0.41
▸ MAP4K4 O95819 2/20 0.41
▸ PIM1 P11309 2/20 0.41
▸ PRKACA P17612 2/20 0.41

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
SCHEMBL5071850 0.77 GRM4 (0.43) GRM4KDM4EMAPTRAB9AMAPK1
SCHEMBL13636063 0.74 GRM4 (0.52) CDC7GRM4KDM4EMAPTRAB9A
SCHEMBL5069231 0.74 CDC7 (0.42) CDC7KDM4EMAPTMAPK1HTT
SCHEMBL12431099 0.70 GRM4 (0.54) CDC7GRM4KDM4EMAPTRAB9A
SCHEMBL1071377 0.69 CDC7 (0.48) CDC7KDM4EMAPTRAB9AMAPK1
SCHEMBL13636079 0.69 GRM4 (0.53) CDC7GRM4KDM4EMAPTRAB9A
SCHEMBL4492404 0.69 CDC7 (0.63) CDC7RAB9ANPC1PAK4SYK
SCHEMBL29430392 0.69 CDC7 (0.63) CDC7RAB9ANPC1PAK4SYK
SCHEMBL20475759 0.68 KDM4E (0.66) CDC7KDM4EMAPTRAB9AMAPK1
SCHEMBL12431087 0.67 GRM4 (0.51) CDC7GRM4KDM4EMAPTRAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2008-11-20 — — US claimed
EP-1345929-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2006-05-17 — — EP claimed
US-20040157893-A1 Pyrazole compounds useful as protein kinase inhibitors BEBBINGTON DAVID (GB) 2004-08-12 — — US claimed
US-6656939-B2 Anticancer agents; autoimmune diseases VERTEX PHARMACEUTICALS INCORPORATED 2003-12-02 — — US claimed
US-20030004164-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-01-02 — — US claimed

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

For each of this compound's patents that has machine-readable text (3 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-20030004164-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B CDC7 30/4885GRM4 4627/4885KDM4E 813/4885
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 CDC7 52/4885GRM4 4721/4885KDM4E 969/4885
US-20040157893-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B CDC7 30/4885GRM4 4664/4885KDM4E 715/4885

“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.

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