SCHEMBL2887865

SCHEMBL2887865

O=C(O)Nc1c(F)cc(N(Cc2ccccc2)Cc2ccccc2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
PTPN1 P18031 2/20 0.48
CYP2C19 P33261 1/20 0.44
NR3C1 P04150 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
CNR2 P34972 1/20 0.42
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSPO P30536 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2B6 P20813 1/20 0.39
AKT1 P31749 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL8272263 0.85 NLRP3 (0.49) CRHBPCRHR2PTPN1CYP2C19RAB9A
SCHEMBL2884029 0.80 CRHBP (0.53) CRHBPCRHR2PTPN1CYP2C19NR3C1
SCHEMBL12346186 0.77 CYP2C19 (0.56) CRHBPCRHR2PTPN1CYP2C19NR3C1
SCHEMBL8773449 0.77 CRHBP (0.50) CRHBPCRHR2PTPN1CYP2C19NR3C1
SCHEMBL28813822 0.76 CRHBP (0.53) CRHBPCRHR2PTPN1CYP2C19NR3C1
SCHEMBL14510437 0.74 TSHR (0.50) CRHBPCRHR2PTPN1CYP2C19NR3C1
SCHEMBL13322100 0.74 CYP2C19 (0.47) CRHBPCRHR2PTPN1CYP2C19NR3C1
SCHEMBL6009444 0.74 CRHBP (0.47) CRHBPCRHR2PTPN1NR3C1TDP1
SCHEMBL6009438 0.74 CRHBP (0.47) CRHBPCRHR2PTPN1NR3C1TDP1
SCHEMBL4416221 0.74 CRHBP (0.50) CRHBPCRHR2PTPN1CYP2C19NR3C1

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 2 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-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 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 (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 CRHBP 3827/4885CRHR2 4538/4885PTPN1 1184/4885

“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.