SCHEMBL949314

SCHEMBL949314

c1cc(NCc2ccc3ccccc3c2)cc(-c2nnn[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.44
IGF1R P08069 1/20 0.44
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
METAP2 P50579 1/20 0.41
NOS1 P29475 7/20 0.40
NOS2 P35228 2/20 0.39
PFKFB3 Q16875 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37

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
SCHEMBL949966 0.80 MC5R (0.36) INSRIGF1RKDM4EFFAR1MC5R
SCHEMBL951951 0.79 BRAF (0.46) INSRIGF1RKDM4EALDH1A1RAB9A
SCHEMBL1249206 0.79 PFKFB3 (0.60) INSRIGF1RALDH1A1METAP2PFKFB3
SCHEMBL5020121 0.78 INSR (0.44) INSRIGF1RKDM4ENPC1ALDH1A1
SCHEMBL5612752 0.78 METAP2 (0.46) INSRIGF1RKDM4ENPC1ALDH1A1
SCHEMBL13847049 0.78 CYSLTR1 (0.53)
SCHEMBL13713703 0.76 ALDH1A1 (0.36) KDM4ENPC1ALDH1A1HPGDHTT
SCHEMBL670906 0.75 NOTUM (0.42) ALDH1A1HPGDSMN1; SMN2ADORA2AADORA1
SCHEMBL12892172 0.74 CYSLTR2 (0.52)
SCHEMBL12963539 0.74 CYP3A4 (0.37) KDM4ENPC1ALDH1A1HPGDHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 INSR 1837/4885IGF1R 3697/4885KDM4E 3121/4885

“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.