SCHEMBL21083579

SCHEMBL21083579

Cc1nncn1Cc1ccc(-c2cc(F)ccc2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
CYP19A1 P11511 7/20 0.41
STS P08842 1/20 0.39
ACHE P22303 1/20 0.38
P2RX7 Q99572 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
TNIK Q9UKE5 1/20 0.36
MAPK14 Q16539 1/20 0.36
AR P10275 1/20 0.35

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
SCHEMBL21083585 0.80 CYP19A1 (0.39) CYP11B1CYP11B2CYP19A1
SCHEMBL28174136 0.78 SOS1 (0.47) CYP11B1CYP11B2CYP19A1P2RX7
SCHEMBL21083761 0.77 CYP19A1 (0.38) CYP19A1STSACHETNIKAR
SCHEMBL2774861 0.72 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1STSACHE
SCHEMBL1463119 0.72 CYP11B2 (0.49) CYP11B1CYP11B2MAPK14
SCHEMBL14476844 0.68 P2RX7 (0.54) P2RX7GSK3AGSK3B
SCHEMBL21083990 0.68 AGTR2 (0.54)
SCHEMBL12596283 0.68 KCNH2 (0.61) CYP11B1CYP11B2CYP19A1P2RX7
SCHEMBL12450280 0.66 CYP19A1 (0.70) CYP19A1STS
SCHEMBL1463109 0.66 KDM4E (0.46) CYP11B1CYP11B2CYP19A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
EP-3478672-B1 BIARYLMETHYL HETEROCYCLES UNIV MONTREAL (CA) 2024-04-10 EP disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-11407733-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-09 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 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 (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-11407733-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 CYP11B1 53/4885CYP11B2 29/4885CYP19A1 837/4885
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 CYP11B1 53/4885CYP11B2 29/4885CYP19A1 837/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 CYP11B1 53/4885CYP11B2 29/4885CYP19A1 837/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 CYP11B1 53/4885CYP11B2 29/4885CYP19A1 837/4885

“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.