SCHEMBL2214866

SCHEMBL2214866

N#Cc1cnn(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
HPGDS O60760 1/20 0.49
ALKBH2 Q6NS38 1/20 0.49
GRM5 P41594 2/20 0.48
TSHR P16473 2/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACACB O00763 1/20 0.41
GRM4 Q14833 7/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL1680266 0.82 CYP2A6 (0.49) GRM5GRM4USP30
SCHEMBL1682507 0.81 CA12 (0.47) GAAHPGDSALKBH2GRM5MAPT
SCHEMBL28241532 0.81 MAOB (0.39) GAAGRM5USP30
SCHEMBL31158430 0.81 GAA (0.53) GAAHPGDSALKBH2NPC1RAB9A
SCHEMBL2645514 0.80 GRM5 (0.48) GRM5TSHRMAPTDRD2DRD3
SCHEMBL21525502 0.80 HPGDS (0.53) HPGDSALKBH2
SCHEMBL6851887 0.78 GAA (0.50) GAAHPGDSALKBH2NPC1RAB9A
SCHEMBL19928288 0.78 GRM5 (0.50) GAAGRM5TSHRGRM4HTR2B
SCHEMBL21753342 0.78 CYP19A1 (0.40) GRM5ACACB
SCHEMBL21753378 0.78 ALDH1A1 (0.47) GRM5NPC1RAB9ASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120585827-A Application of compound in preparation of medicine for resisting cryptosporidium parvum 华南农业大学 2025-09-05 CN disclosed
CN-118161459-A Solid dispersion of cryptosporidium parvum-resistant compound, and preparation method and application thereof 华南农业大学 2024-06-11 CN disclosed
US-11597702-B2 Substituted pyrazoles FFA4/GPR120 receptor agonists GOLGI NEUROSCIENCES S.R.L. (IT) 2023-03-07 US disclosed
CN-113200978-B Isothia (selenium) azolone derivative and application thereof in anti-coronavirus drugs 中国海洋大学 2022-09-16 CN disclosed
US-10336731-B2 Substituted 1H-indole-2-carboxamide compounds as indoleamine-2,3-dioxygenase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-02 US disclosed
CN-108329246-A Pyrrolidinyl urea and pyrrolidinyl thiourea compound as TRKA kinase inhibitors 阵列生物制药公司 2018-07-27 CN disclosed
CN-105130967-B Pyrrolidinyl urea and pyrrolidinyl thiourea compound as TRKA kinase inhibitors 阵列生物制药公司 2018-04-17 CN disclosed
WO-2017048612-A1 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD. (GB) 2017-03-23 WO disclosed
WO-2015143653-A1 TrkA KINASE INHIBITORS,COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO disclosed
EP-2341775-A1 INHIBITORS OF JANUS KINASES Merck & Co., Inc. (US) 2011-07-13 EP disclosed
CN-100393299-C Use of an inhibitor of 15-hydroxyprostaglandin dehydrogenasein order to stimulate pigmentation of the skin or skin appendages OREAL (FR) 2008-06-11 CN disclosed
EP-1781271-A1 ARYLIDENES FOR THE TREATMENT OF ESTROGEN RELATED RECEPTOR-ALPHA MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
CN-1774229-A Use of an inhibitor of 15-hydroxyprostaglandin dehydrogenasein order to stimulate pigmentation of the skin or skin appendages OREAL (FR) 2006-05-17 CN disclosed
WO-2006019741-A1 ARYLIDENES FOR THE TREATMENT OF ESTROGEN RELATED RECEPTOR-ALPHA MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-23 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 (2 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-10336731-B2 Substituted 1H-indole-2-carboxamide compounds as indoleamine-2,3-dioxygenase inhibitors TPH1, TPH2, IDO1 GAA 3037/4885HPGDS 2224/4885ALKBH2 278/4885
US-11597702-B2 Substituted pyrazoles FFA4/GPR120 receptor agonists FFAR4, FFAR3, FFAR1 GAA 1962/4885HPGDS 1388/4885ALKBH2 4589/4885

“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.