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Sugi Predict / Compounds / SCHEMBL2885960

SCHEMBL2885960

SCHEMBL2885960

Nc1nc(Cl)cc(Nc2ccc(Nc3ccnc4[nH]cc(F)c34)c(F)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 16/20 0.63
▸ CYP3A4 P08684 5/20 0.63
▸ OPRK1 P41145 2/20 0.59
▸ CDC7 O00311 1/20 0.59
▸ CHEK1 O14757 1/20 0.59
▸ AURKA O14965 1/20 0.59
▸ PDPK1 O15530 1/20 0.59
▸ DAPK3 O43293 1/20 0.59
▸ DYRK3 O43781 1/20 0.59
▸ CACNA1F O60840 1/20 0.59
▸ RAF1 P04049 1/20 0.59
▸ ERBB2 P04626 1/20 0.59
▸ NTRK1 P04629 1/20 0.59
▸ INSR P06213 1/20 0.59
▸ CDK1 P06493 1/20 0.59
▸ FES P07332 1/20 0.59
▸ CSF1R P07333 1/20 0.59
▸ LYN P07948 1/20 0.59
▸ MET P08581 1/20 0.59
▸ ROS1 P08922 1/20 0.59

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
SCHEMBL2886394 0.95 ROCK2 (0.60) ROCK2CYP3A4OPRK1CDC7CHEK1
SCHEMBL2881276 0.93 ROCK2 (0.71) ROCK2CYP3A4OPRK1CDC7CHEK1
SCHEMBL2887689 0.91 ROCK2 (0.56) ROCK2CYP3A4OPRK1CDC7CHEK1
SCHEMBL2881832 0.85 ROCK2 (0.69) ROCK2CYP3A4OPRK1CDC7CHEK1
SCHEMBL2882358 0.82 ROCK2 (0.70) ROCK2CYP3A4OPRK1CDC7CHEK1
SCHEMBL8272279 0.79 ROCK2 (0.56) ROCK2CYP3A4OPRK1CDC7CHEK1
SCHEMBL4768035 0.79 ROCK2 (0.83) ROCK2CYP3A4OPRK1CDC7CHEK1
SCHEMBL8270531 0.78 ROCK2 (0.73) ROCK2CYP3A4OPRK1CDC7CHEK1
SCHEMBL4772169 0.77 ROCK2 (1.00) ROCK2CYP3A4OPRK1CDC7CHEK1
SCHEMBL4771279 0.76 ROCK2 (0.82) ROCK2CYP3A4OPRK1CDC7CHEK1

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
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 — — US disclosed
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 — — US disclosed
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 — — US disclosed
EP-1742945-B1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER SCHERING PHARMA AG (DE) 2009-12-30 — — EP disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 — — US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 — — US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 — — US disclosed
EP-1742945-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES Bayer HealthCare AG (DE) 2007-01-17 — — EP disclosed
WO-2005108397-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER HEALTHCARE AG (DE) 2005-11-17 — — WO disclosed
WO-2005108397-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER HEALTHCARE AG (DE) 2005-11-17 — — 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-20080269268-A1 Substituted Phenylamino-Pyrimidines TYMP, DPYD, HPRT1 ROCK2 4593/4885CYP3A4 599/4885OPRK1 2536/4885

“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.