SCHEMBL5069231

SCHEMBL5069231

Nc1nc(Nc2ccc3cn[nH]c3c2)nnc1-c1cc(C2CC2)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 2/20 0.42
▸ WEE1 P30291 1/20 0.42
▸ SYK P43405 6/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ULK1 O75385 3/20 0.40
▸ AGPAT2 O15120 1/20 0.39
▸ IGF1R P08069 4/20 0.39
▸ EIF2AK2 P19525 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL5068326 0.77 KDM4E (0.40) CDC7WEE1SYKALDH1A1HSD17B10
SCHEMBL2071594 0.76 ULK1 (0.47) CDC7SYKULK1IGF1R
SCHEMBL13636071 0.76 CDC7 (0.50) CDC7WEE1SYKALDH1A1HSD17B10
SCHEMBL4952013 0.75 ULK1 (0.51) CDC7SYKULK1IGF1R
SCHEMBL5070933 0.74 CDC7 (0.42) CDC7WEE1SYKALDH1A1HSD17B10
SCHEMBL2071141 0.74 ULK1 (0.44) CDC7SYKULK1IGF1R
SCHEMBL15208658 0.71 CLK1 (0.43) SYKALDH1A1KDM4EMAPTAPAF1
SCHEMBL13636077 0.71 SYK (0.48) CDC7WEE1SYKALDH1A1HSD17B10
SCHEMBL12431097 0.70 ULK1 (0.50) CDC7WEE1SYKALDH1A1HSD17B10
SCHEMBL3703992 0.69 SYK (0.44) CDC7WEE1SYKALDH1A1HSD17B10

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 30/4885WEE1 63/4885SYK 1327/4885
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 CDC7 52/4885WEE1 47/4885SYK 1153/4885
US-20040157893-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B CDC7 30/4885WEE1 64/4885SYK 1242/4885

“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.

Send feedback