SCHEMBL4185239

SCHEMBL4185239

NCc1c[nH]c2cc(N)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.53
HTR2C P28335 2/20 0.53
MPO P05164 3/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
IMPDH2 P12268 3/20 0.47
HTR2B P41595 1/20 0.47
GPR84 Q9NQS5 2/20 0.46
HTR6 P50406 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR7 P34969 1/20 0.46
CTSK P43235 1/20 0.46
CYP2A13 Q16696 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL9664523 0.85 MPO (0.66) HTR2AHTR2CMPOMEN1KMT2A
SCHEMBL13715930 0.84 HTR2A (0.61) HTR2AHTR2CMPOMEN1KMT2A
SCHEMBL5742536 0.83 GPR84 (0.49) HTR2AHTR2CMPOMEN1KMT2A
SCHEMBL398434 0.83 HTR2A (0.51) HTR2AHTR2CMEN1KMT2AIMPDH2
SCHEMBL5484715 0.83 HTR2A (0.51) HTR2AHTR2CMEN1KMT2AIMPDH2
SCHEMBL3280703 0.79 HTR2A (0.75) HTR2AHTR2CMPOMEN1KMT2A
SCHEMBL31415125 0.79 HTR2A (0.75) HTR2AHTR2CMPOKMT2AGPR84
SCHEMBL3280241 0.79 GPR84 (0.73) HTR2AHTR2CMPOHTR2BGPR84
SCHEMBL2015074 0.79 HTR2A (0.44) HTR2AHTR2CMPOMEN1KMT2A
SCHEMBL273402 0.79 CSNK2A1 (0.57) HTR2AHTR2CMPOMEN1KMT2A

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-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates KOWA COMPANY, LTD. (JP) 2009-01-08 US disclosed
EP-1806355-A1 PROCESS FOR PRODUCTION OF (1,3-DISUBSTITUTED INDOLYL)- UREA DERIVATIVES, INTERMEDIATES THEREFOR, AND PROCESS FOR PRODUCTION OF THE INTERMEDIATES Kowa Company Ltd. (JP) 2007-07-11 EP 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-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates WEE1, WASF2, IDO1 HTR2A 1703/4885HTR2C 581/4885MPO 3284/4885

“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.