Sugi Predict

Sugi Predict / Compounds / SCHEMBL2881827

SCHEMBL2881827

SCHEMBL2881827

N#Cc1c[nH]c2nccc(Cc3ccc(Nc4cc(C(F)(F)F)nc(N)n4)cc3F)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 13/20 0.52
▸ CYP3A4 P08684 4/20 0.41
▸ ROCK1 Q13464 2/20 0.38
▸ CDC42BPA Q5VT25 2/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ INSR P06213 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ FES P07332 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ MET P08581 1/20 0.38

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
SCHEMBL2887320 0.88 ROCK2 (0.64) ROCK2CYP3A4ROCK1CDC42BPACDC7
SCHEMBL8270533 0.87 ROCK2 (0.66) ROCK2CYP3A4ROCK1CDC42BPACDC7
SCHEMBL5087970 0.83 ROCK2 (0.67) ROCK2CYP3A4ROCK1CDC42BPACDC7
SCHEMBL8272276 0.81 ROCK2 (0.68) ROCK2CYP3A4
SCHEMBL2887283 0.77 ROCK2 (0.48) ROCK2ROCK1CDC42BPACDC42BPBLRRK2
SCHEMBL8284036 0.73 ROCK2 (0.74) ROCK2CYP3A4ROCK1CDC42BPACDC7
SCHEMBL8272279 0.73 ROCK2 (0.56) ROCK2CYP3A4ROCK1CDC42BPACDC7
SCHEMBL14845831 0.72 ROCK2 (0.50) ROCK2CYP3A4
SCHEMBL4775530 0.72 ROCK2 (0.65) ROCK2CYP3A4ROCK1CDC42BPACDC7
SCHEMBL8283424 0.71 ROCK2 (0.77) ROCK2CYP3A4ROCK1CDC42BPACDC7

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 9 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
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
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 599/4885ROCK1 4628/4885

“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.