SCHEMBL5071850

SCHEMBL5071850

Nc1cnnc(Nc2ccc3cn[nH]c3c2)c1-c1n[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.43
▸ RET P07949 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MKNK1 Q9BUB5 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ EIF2AK2 P19525 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL5070933 0.77 CDC7 (0.42) GRM4RETKDRKDM4EMAPT
SCHEMBL13636079 0.76 GRM4 (0.53) GRM4RETKDRKDM4EMAPT
SCHEMBL5068326 0.74 KDM4E (0.40) RETKDRKDM4EMAPTHTT
SCHEMBL13636063 0.73 GRM4 (0.52) GRM4RETKDRKDM4EMAPT
SCHEMBL12431099 0.70 GRM4 (0.54) GRM4RETKDRKDM4EMAPT
SCHEMBL12431087 0.68 GRM4 (0.51) GRM4RETKDRKDM4EMAPT
SCHEMBL5069223 0.67 PLK4 (0.43) KDM4EMAPTHTTKMT2AAURKA
SCHEMBL20475759 0.66 KDM4E (0.66) RETKDRKDM4EMAPTHTT
SCHEMBL30450716 0.65 KMT2A (0.49) RETKDRKDM4EMAPTHTT
SCHEMBL14323070 0.65 KDR (0.47) RETKDRKDM4EMAPTHTT

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-8304414-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-06 — — US claimed
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-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 GRM4 4627/4885RET 898/4885KDR 2394/4885
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 GRM4 4721/4885RET 680/4885KDR 2394/4885
US-20040157893-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B GRM4 4664/4885RET 827/4885KDR 2346/4885

“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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