SCHEMBL10126403

SCHEMBL10126403

Cc1ccc(OCC(=O)NCc2nc(C(=O)NCCc3cccc(Cl)c3)cs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.52
IDO1 P14902 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HIF1A Q16665 2/20 0.45
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL5668546 0.92 IGF1R (0.49) IGF1RIDO1MEN1KMT2AHIF1A
SCHEMBL2174484 0.92 IGF1R (0.49) IGF1RIDO1MEN1KMT2AHIF1A
SCHEMBL4385586 0.91 IGF1R (0.48) IGF1RIDO1MEN1KMT2AHIF1A
SCHEMBL5668870 0.91 IGF1R (0.51) IGF1RIDO1MEN1KMT2AHIF1A
SCHEMBL283213 0.89 TRPV1 (0.58) IGF1RIDO1MEN1KMT2AHIF1A
SCHEMBL19882503 0.88 TRPV1 (0.46) IGF1RMEN1KMT2AHIF1AGAA
SCHEMBL12407097 0.84 TRPV1 (0.45) IGF1RMEN1KMT2AHIF1AGAA
SCHEMBL5670028 0.83 IGF1R (0.56) IGF1RIDO1MEN1KMT2AHIF1A
SCHEMBL2171624 0.81 CNR1 (0.51) IGF1RMEN1KMT2AHIF1AGAA
SCHEMBL2186611 0.80 TRPV1 (0.48) IGF1RHTTMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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 (3 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-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK IGF1R 47/4885IDO1 2464/4885MEN1 3439/4885
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 IGF1R 1399/4885IDO1 2524/4885MEN1 724/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 IGF1R 1399/4885IDO1 2524/4885MEN1 724/4885

“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.