Sugi Predict

Sugi Predict / Compounds / SCHEMBL23326404

SCHEMBL23326404

SCHEMBL23326404

C[C@@H](N)c1cccc(C(F)F)c1C(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ PNMT P11086 1/20 0.45
▸ LMNA P02545 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ GABRA1 P14867 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ SLC6A2 P23975 3/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ FAAH O00519 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ PTGS1 P23219 1/20 0.33

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
SCHEMBL29861001 1.00 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL23326406 1.00 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL20818345 0.79 CYP2D6 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL7907392 0.79 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL23326566 0.78 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL21133181 0.78 CYP3A4 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL29672766 0.78 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL23526013 0.78 CYP3A4 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL21132678 0.78 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL30367066 0.78 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT

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-4620531-A2 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. (US) 2025-09-24 — — EP disclosed
US-12258366-B2 Bicyclic heteroaryl compounds and uses thereof Revolution Medicines, Inc. (US) 2025-03-25 — — US disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 — — US disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 — — US disclosed
CN-116425742-A Bicyclic heteroaryl compounds and uses thereof 锐新医药公司 2023-07-14 — — CN disclosed
EP-4055017-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-09-14 — — EP disclosed
CN-114901662-A Bicyclic heteroaryl compounds and uses thereof 锐新医药公司 2022-08-12 — — CN disclosed
US-11168102-B1 Bicyclic heteroaryl compounds and uses thereof Revolution Medicines, Inc. (US) 2021-11-09 — — US disclosed
US-11168102-B1 Bicyclic heteroaryl compounds and uses thereof Revolution Medicines, Inc. (US) 2021-11-09 — — US disclosed
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2021-05-13 — — US disclosed
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2021-05-13 — — 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-11168102-B1 Bicyclic heteroaryl compounds and uses thereof SOS1, SOST, SOS2 CYP1A2 1997/4885CYP3A4 3216/4885CYP2D6 1512/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 CYP1A2 2086/4885CYP3A4 2915/4885CYP2D6 1282/4885
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 CYP1A2 2086/4885CYP3A4 2915/4885CYP2D6 1282/4885
US-12258366-B2 Bicyclic heteroaryl compounds and uses thereof SOST, SOS1, SOS2 CYP1A2 2086/4885CYP3A4 2915/4885CYP2D6 1282/4885

“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.