SCHEMBL5068326

SCHEMBL5068326

Nc1cnnc(Nc2ccc3cn[nH]c3c2)c1-c1cc(C2CC2)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SYK P43405 5/20 0.39
▸ IGF1R P08069 2/20 0.38
▸ ULK1 O75385 2/20 0.38
▸ EIF2AK2 P19525 1/20 0.38
▸ RET P07949 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CDC7 O00311 2/20 0.37
▸ WEE1 P30291 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL5069231 0.77 CDC7 (0.42) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL13636077 0.74 SYK (0.48) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL5071850 0.74 GRM4 (0.43) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL13636071 0.73 CDC7 (0.50) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL4952013 0.71 ULK1 (0.51) SYKIGF1RULK1CDC7
SCHEMBL12431097 0.70 ULK1 (0.50) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL12431083 0.67 ULK1 (0.58) SYKIGF1RULK1
SCHEMBL29543562 0.66 MKNK1 (0.52) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL18188330 0.66 MKNK1 (0.52) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL31471744 0.65 ULK1 (0.80) IGF1RULK1

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 KDM4E 813/4885MEN1 2015/4885MAPT 348/4885
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 KDM4E 969/4885MEN1 1579/4885MAPT 311/4885
US-20040157893-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B KDM4E 715/4885MEN1 1979/4885MAPT 317/4885

“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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