SCHEMBL13834236

SCHEMBL13834236

N#Cc1cccc(CN2CCCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
PRMT6 Q96LA8 1/20 0.56
FAAH O00519 1/20 0.55
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HIF1A Q16665 1/20 0.53
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50

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
SCHEMBL29809589 1.00 HRH3 (0.62) HRH3SMN1; SMN2ALDH1A1TDP1PRMT6
SCHEMBL2228790 1.00 HRH3 (0.62) HRH3SMN1; SMN2ALDH1A1TDP1PRMT6
SCHEMBL2227448 0.98 HRH3 (0.60) HRH3SMN1; SMN2ALDH1A1TDP1PRMT6
SCHEMBL29678370 0.98 HRH3 (0.60) HRH3SMN1; SMN2ALDH1A1TDP1PRMT6
SCHEMBL27912351 0.95 FAAH (0.56) HRH3SMN1; SMN2ALDH1A1TDP1PRMT6
SCHEMBL20804353 0.91 FAAH (0.63) HRH3FAAHCYP19A1CYP11B1CYP11B2
SCHEMBL28024099 0.91 FAAH (0.63) HRH3FAAHCYP19A1CYP11B1CYP11B2
SCHEMBL639856 0.85 CHRM3 (0.60) FAAHCYP19A1CYP11B1CYP11B2
SCHEMBL38659199 0.85 CHRM3 (0.60) FAAHCYP19A1CYP11B1CYP11B2
SCHEMBL26115483 0.85 FAAH (0.54) HRH3ALDH1A1FAAHCYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348458-A Imidazolylpyrimidinylamine compounds as CDK2 inhibitors 因赛特公司 2023-06-27 CN claimed
US-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-05-09 US disclosed
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed
US-9469710-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2016-10-18 US disclosed
US-20150148489-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2015-05-28 US disclosed
WO-2014086712-A1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-12 WO disclosed
US-20120296041-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2012-11-22 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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF TLR7, TLR1, TLR8 HRH3 244/4885SMN1; SMN2 3760/4885ALDH1A1 1289/4885

“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.