SCHEMBL1838178

SCHEMBL1838178

Nc1cc(-c2cc3c(-c4ccccc4)ccnc3[nH]2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.51
EGFR P00533 8/20 0.49
CHUK O15111 4/20 0.48
MAPK8 P45983 4/20 0.48
INSR P06213 3/20 0.48
CAMKK2 Q96RR4 3/20 0.48
CDK5 Q00535 2/20 0.48
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
MAPK14 Q16539 6/20 0.47
CDK9 P50750 2/20 0.47
CCNT1 O60563 1/20 0.47
CLK2 P49760 2/20 0.47
DYRK1A Q13627 2/20 0.47
AURKB Q96GD4 2/20 0.47

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
SCHEMBL1838419 0.91 CDC7 (0.47) CDC7EGFRCHUKMAPK8INSR
SCHEMBL1841792 0.86 EGFR (0.53) EGFRCHUKMAPK8INSRCAMKK2
SCHEMBL1840172 0.85 CHUK (0.56) CDC7EGFRCHUKMAPK8INSR
SCHEMBL1840648 0.82 CHUK (0.60) CDC7EGFRCHUKMAPK8INSR
SCHEMBL1841326 0.79 AURKA (0.48) CHUKMAPK8INSRCAMKK2GSK3B
SCHEMBL1836679 0.79 PIK3CD (0.46) CDC7EGFRCHUKMAPK8INSR
SCHEMBL1838343 0.78 GSK3B (0.53) CDC7EGFRCHUKMAPK8INSR
SCHEMBL1840354 0.78 CDC7 (0.52) CDC7CCNB2CDK1CCNB1CCNB3
SCHEMBL1840513 0.77 GSK3B (0.46) CDC7CDK5CCNB2CDK1CCNB1
SCHEMBL1842220 0.77 CCNK (0.58) EGFRCLK2DYRK1AFGFR1

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 10 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
CN-102143746-A CDK modulators EXELIXIS INC 2011-08-03 CN 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
CN-102143746-A CDK modulators EXELIXIS INC 2011-08-03 CN 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 CDC7 79/4885EGFR 1213/4885CHUK 163/4885

“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.