SCHEMBL3762013

SCHEMBL3762013

COc1ccccc1Nc1nccc(-c2c(Cl)nc3ccccn23)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.62
CDK4 P11802 3/20 0.53
CCNE1 P24864 2/20 0.53
EGFR P00533 1/20 0.52
MAPK8 P45983 4/20 0.50
CAMKK2 Q96RR4 4/20 0.50
PIK3CG P48736 3/20 0.50
DYRK1A Q13627 1/20 0.50
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
KDR P35968 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AURKA O14965 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL3761151 0.90 CDK2 (0.56) CDK2CDK4CCNE1EGFRPIK3CG
SCHEMBL3765209 0.86 CDK2 (0.52) CDK2CDK4CCNE1EGFRIGF1R
SCHEMBL3761753 0.86 CDK2 (0.52) CDK2CDK4CCNE1EGFRCAMKK2
SCHEMBL3759158 0.85 CDK2 (0.51) CDK2CDK4CCNE1EGFRMAPK8
SCHEMBL3762802 0.83 ALK (0.53) CDK2CDK4CCNE1EGFRCDK1
SCHEMBL3759789 0.83 IGF1R (0.58) EGFRIGF1R
SCHEMBL3761576 0.83 IGF1R (0.51) CDK2EGFRKDRIGF1RGSK3B
SCHEMBL3758950 0.82 MAPK8 (0.50) CDK2EGFRMAPK8CAMKK2PIK3CG
SCHEMBL3759773 0.82 IGF1R (0.63) EGFRMAPK8LRRK2IGF1R
SCHEMBL3764899 0.82 IGF1R (0.63) CDK2EGFRIGF1R

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
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
EP-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP disclosed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 US 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 (2 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-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 CDK2 2/4885CDK4 21/4885CCNE1 29/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 CDK2 3/4885CDK4 33/4885CCNE1 49/4885

“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.