SCHEMBL1839153

SCHEMBL1839153

Nc1nccc(-c2cc3c(-c4cccc(CO)c4)ccnc3[nH]2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 4/20 0.49
▸ CHUK O15111 3/20 0.49
▸ INSR P06213 3/20 0.49
▸ CAMKK2 Q96RR4 3/20 0.49
▸ NUDT1 P36639 2/20 0.47
▸ CDK2 P24941 6/20 0.43
▸ CCNT1 O60563 5/20 0.43
▸ CCNA2 P20248 5/20 0.43
▸ CDK9 P50750 5/20 0.43
▸ JAK2 O60674 4/20 0.43
▸ CDC7 O00311 4/20 0.43
▸ GSK3B P49841 3/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ TAOK1 Q7L7X3 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ CCNB2 O95067 1/20 0.43
▸ CCNE2 O96020 1/20 0.43
▸ PRKCB P05771 1/20 0.43
▸ CCNB1 P14635 1/20 0.43

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
SCHEMBL1841577 0.89 CHUK (0.45) MAPK8CHUKINSRCAMKK2NUDT1
SCHEMBL1838343 0.86 GSK3B (0.53) MAPK8CHUKINSRCAMKK2CDK2
SCHEMBL1840172 0.82 CHUK (0.56) MAPK8CHUKINSRCAMKK2NUDT1
SCHEMBL1840135 0.81 DYRK1A (0.52) MAPK8CHUKINSRCAMKK2CDK2
SCHEMBL1840513 0.80 GSK3B (0.46) CDK2CCNT1CCNA2CDK9JAK2
SCHEMBL1842523 0.79 CCNT1 (0.56) MAPK8CHUKINSRCAMKK2NUDT1
SCHEMBL1838430 0.78 CCNT1 (0.54) CHUKCDK2CCNT1CCNA2CDK9
SCHEMBL856851 0.71 IKBKB (0.66) MAPK8CHUKNUDT1CDK9JAK2
SCHEMBL9918003 0.70 NUDT1 (0.65) NUDT1JAK2ROCK2PRKCDROCK1
SCHEMBL4312284 0.68 AURKA (0.64) AURKBAURKAINCENPTPX2PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011526931-A — — 2011-10-20 — — JP claimed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — US claimed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 — — EP claimed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 — — WO claimed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — US disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 — — WO 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 (1 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 MAPK8 282/4885CHUK 163/4885INSR 2079/4885

“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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