Sugi Predict

Sugi Predict / Compounds / SCHEMBL2885462

SCHEMBL2885462

SCHEMBL2885462

O=[N+]([O-])c1ccc(Nc2ccnc3[nH]cc(C(F)(F)F)c23)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ PTK6 Q13882 3/20 0.40
▸ TBK1 Q9UHD2 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ ERBB2 P04626 2/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ MAPT P10636 4/20 0.37
▸ PDE7A Q13946 1/20 0.37
▸ PLK1 P53350 1/20 0.36
▸ MAP4K1 Q92918 2/20 0.36

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
SCHEMBL2887002 0.90 PTK6 (0.45) PTK6ALDH1A1CDK4ERBB2CDK2
SCHEMBL2881321 0.84 CDK4 (0.41) POLBPTK6ALDH1A1CDK4ERBB2
SCHEMBL2881022 0.84 PTK6 (0.41) PTK6ALDH1A1ERBB2MEN1KMT2A
SCHEMBL2890101 0.81 TBK1 (0.39) POLBPTK6TBK1AURKAMAP4K1
SCHEMBL2886078 0.76 TTBK1 (0.43) PTK6ALDH1A1ERBB2MEN1KMT2A
SCHEMBL2887689 0.70 ROCK2 (0.56) POLBTBK1ERBB2CDK2AURKA
SCHEMBL2887530 0.70 POLB (0.36) POLBALDH1A1CCNA2CDK2CCNA1
SCHEMBL11591036 0.69 POLB (0.48) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL4404315 0.68 AURKA (0.37) PTK6ERBB2CDK2AURKA
SCHEMBL25372192 0.68 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPT

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 POLB 122/4885PTK6 1489/4885TBK1 3048/4885

“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.