SCHEMBL4808980

SCHEMBL4808980

c1cc(-n2ccnn2)ccn1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.63
KEAP1 Q14145 1/20 0.50
CYP19A1 P11511 1/20 0.49
MAOA P21397 1/20 0.41
CHKA P35790 1/20 0.38

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
SCHEMBL10447781 0.87 NOTUM (0.78) NOTUMKEAP1CYP19A1
SCHEMBL75570 0.81 NOTUM (0.63) NOTUMKEAP1CYP19A1
SCHEMBL29084866 0.79 NOTUM (0.61) NOTUMKEAP1CYP19A1
SCHEMBL76794 0.77 NOTUM (0.64) NOTUMKEAP1CYP19A1
SCHEMBL6071987 0.77 NOTUM (0.53) NOTUMKEAP1CYP19A1
SCHEMBL871731 0.77 NOTUM (0.59) NOTUMKEAP1CYP19A1MAOA
SCHEMBL8117312 0.77 NOTUM (0.64) NOTUMKEAP1CYP19A1
SCHEMBL482167 0.77 NOTUM (0.64) NOTUMKEAP1CYP19A1
SCHEMBL21777006 0.77 NOTUM (1.00) NOTUMKEAP1CYP19A1
SCHEMBL239581 0.77 NOTUM (1.00) NOTUMKEAP1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4466258-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 EP disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed
CN-107207521-A Substituted bridged urea analogs as sirtuin modulators 葛兰素史密斯克莱知识产权(第2 号)有限公司 2017-09-26 CN disclosed
CN-107207509-A Substituted bridged ring urea analogs as sirtuin modulators 葛兰素史密斯克莱知识产权(第2 号)有限公司 2017-09-26 CN disclosed
US-9670241-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-06 US disclosed
CN-105828608-A Pesticidal Compositions And Related Methods 美国陶氏益农公司 2016-08-03 CN disclosed
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 NOTUM 960/4885KEAP1 1200/4885CYP19A1 2876/4885
US-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 NOTUM 4194/4885KEAP1 1536/4885CYP19A1 2652/4885
US-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 NOTUM 4341/4885KEAP1 1663/4885CYP19A1 2765/4885

“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.