SCHEMBL2227448

SCHEMBL2227448

N#Cc1cccc(CN2CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.60
PRMT6 Q96LA8 1/20 0.57
FAAH O00519 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 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
SCHEMBL29678370 1.00 HRH3 (0.60) HRH3PRMT6FAAHSMN1; SMN2ALDH1A1
SCHEMBL29809589 0.98 HRH3 (0.62) HRH3PRMT6FAAHSMN1; SMN2ALDH1A1
SCHEMBL13834236 0.98 HRH3 (0.62) HRH3PRMT6FAAHSMN1; SMN2ALDH1A1
SCHEMBL2228790 0.98 HRH3 (0.62) HRH3PRMT6FAAHSMN1; SMN2ALDH1A1
SCHEMBL27912351 0.97 FAAH (0.56) HRH3PRMT6FAAHSMN1; SMN2ALDH1A1
SCHEMBL28024099 0.93 FAAH (0.63) HRH3FAAHCYP19A1CYP11B1CYP11B2
SCHEMBL20804353 0.93 FAAH (0.63) HRH3FAAHCYP19A1CYP11B1CYP11B2
SCHEMBL38659199 0.87 CHRM3 (0.60) FAAHCYP19A1CYP11B1CYP11B2
SCHEMBL639856 0.87 CHRM3 (0.60) FAAHCYP19A1CYP11B1CYP11B2
SCHEMBL26115483 0.87 FAAH (0.54) HRH3FAAHALDH1A1CYP19A1CYP11B1

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 90 patents — showing the first 20. 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-20250243183-A1 IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION 2025-07-31 US disclosed
EP-3848375-B1 METHODS OF PREPARING INTERMEDIATES FOR TOLL-LIKE RECEPTOR MODULATORS GILEAD SCIENCES INC (US) 2023-12-27 EP disclosed
CN-115043840-A Methods for preparing TOLL-like receptor modulators 吉利德科学公司 2022-09-13 CN disclosed
CN-107074860-B Methods for preparing TOLL-like receptor modulators 吉利德科学公司 2022-07-15 CN disclosed
US-11110091-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2021-09-07 US disclosed
US-11110091-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2021-09-07 US disclosed
US-11084818-B2 Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use HEPO PHARMACEUTICAL CO., LTD. (CN) 2021-08-10 US disclosed
EP-3848375-A1 METHODS OF PREPARING INTERMEDIATES FOR TOLL-LIKE RECEPTOR MODULATORS Gilead Sciences, Inc. (US) 2021-07-14 EP disclosed
EP-3848375-A1 METHODS OF PREPARING INTERMEDIATES FOR TOLL-LIKE RECEPTOR MODULATORS Gilead Sciences, Inc. (US) 2021-07-14 EP disclosed
US-8367670-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
US-20120296041-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2012-11-22 US disclosed
WO-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 WO disclosed
WO-2010077613-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-07-08 WO disclosed
US-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
US-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
US-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
EP-1070708-B1 Triazole derivatives HOFFMANN LA ROCHE (CH) 2004-01-14 EP disclosed
US-6265426-B1 CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2001-07-24 US disclosed
EP-1070708-A1 Triazole and imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-01-24 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 (4 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-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 HRH3 1263/4885PRMT6 3752/4885FAAH 4137/4885
US-11110091-B2 Modulators of toll-like receptors TLR3, TLR2, TLR6 HRH3 1263/4885PRMT6 3752/4885FAAH 4137/4885
US-11084818-B2 Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use TLR7, TLR9, TLR4 HRH3 53/4885PRMT6 4010/4885FAAH 962/4885
US-20250243183-A1 IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK4, CDK2AP2 HRH3 2765/4885PRMT6 1539/4885FAAH 4665/4885

“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.