SCHEMBL2886678

SCHEMBL2886678

Nc1cc(F)c(N(Cc2ccccc2)Cc2ccccc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AOC3 Q16853 1/20 0.39
MGLL Q99685 2/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
GBA1 P04062 1/20 0.37
CA2 P00918 1/20 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
SCHEMBL6756372 0.81 GBA1 (0.43) TSHRKDM4EALDH1A1SMN1; SMN2MGLL
SCHEMBL13322100 0.74 CYP2C19 (0.47) TSHRKDM4EALDH1A1SMN1; SMN2AOC3
SCHEMBL7207372 0.72 CRHBP (0.54) TSHRSMN1; SMN2CYP2C19CRHBPCRHR2
SCHEMBL29892730 0.72 CRHBP (0.54) TSHRSMN1; SMN2CYP2C19CRHBPCRHR2
SCHEMBL11296484 0.72 SIGMAR1 (0.49)
SCHEMBL5065124 0.70 KDM1A (0.52) TSHRSMN1; SMN2MAOAMAOB
SCHEMBL31623051 0.70 CYP2C19 (0.40) TSHRKDM4EALDH1A1SMN1; SMN2CYP2C19
SCHEMBL18030723 0.70 CARM1 (0.47) TSHRSMN1; SMN2CARM1PRMT6PRMT8
SCHEMBL13338024 0.69 CYP19A1 (0.44) TSHRKDM4EALDH1A1SMN1; SMN2AOC3
SCHEMBL1498777 0.68 CYP2C19 (0.64) TSHRKDM4EALDH1A1SMN1; SMN2AOC3

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 TSHR 3693/4885KDM4E 2250/4885ALDH1A1 598/4885

“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.