SCHEMBL21132425

SCHEMBL21132425

C[C@@H](N)c1cccc(C(C)(F)F)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
PNMT P11086 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
P2RX7 Q99572 1/20 0.39
KRAS P01116 12/20 0.35
SOS1 Q07889 12/20 0.35
PDE2A O00408 2/20 0.34

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
SCHEMBL23577936 1.00 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL30827007 0.98 IDO1 (0.42) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL23246355 0.98 IDO1 (0.42) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL23246354 0.98 IDO1 (0.42) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL4234796 0.87 IDO1 (0.51) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL14120782 0.87 IDO1 (0.51) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL29656429 0.87 IDO1 (0.51) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL4550765 0.87 IDO1 (0.51) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL29845425 0.87 IDO1 (0.51) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL25358651 0.85 IDO1 (0.54) 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4667464-A1 AZOLYLPYRIDINE PYRIDAZINONE AMIDE AS SOS1 INHIBITOR Cyrus Therapeutics Inc. (KR) 2025-12-24 EP disclosed
EP-4081521-B1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LTD (IN) 2025-12-10 EP disclosed
CN-120058795-A Phosphorus-containing SOS1 inhibitors 正大天晴药业集团股份有限公司 2025-05-30 CN disclosed
CN-120058797-A Phosphorus-containing SOS1 inhibitors 正大天晴药业集团股份有限公司 2025-05-30 CN disclosed
CN-120058796-A Phosphorus-containing SOS1 inhibitors 正大天晴药业集团股份有限公司 2025-05-30 CN disclosed
CN-115461342-B Phosphorus-containing SOS1 inhibitors 正大天晴药业集团股份有限公司 2025-02-21 CN disclosed
EP-4472974-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Schrödinger, Inc. (US) 2024-12-11 EP disclosed
CN-118974038-A Heterocyclic compounds and methods of use 薛定谔公司 2024-11-15 CN disclosed
US-20240109891-A1 NOVEL SUBSTITUTED TRICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2024-04-04 US disclosed
US-20240109887-A1 NOVEL SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2024-04-04 US disclosed
WO-2022161461-A1 SOS1 INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 江苏先声药业有限公司 2022-08-04 WO disclosed
WO-2022161461-A1 SOS1 INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 江苏先声药业有限公司 2022-08-04 WO disclosed
WO-2022156792-A1 HETEROCYCLIC COMPOUNDS AS SOS1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-07-28 WO disclosed
CN-114539245-A Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-05-27 CN disclosed
CN-113727758-A Bicyclic heterocyclic compounds and use thereof 锐新医药公司 2021-11-30 CN disclosed
WO-2021130731-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-07-01 WO disclosed
US-20210009588-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-01-14 US disclosed
WO-2020254451-A1 ANTICANCER COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-24 WO disclosed
US-10829487-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-11-10 US disclosed
US-20190194192-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-27 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 (5 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-20210009588-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOST, SOS2 CYP1A2 1336/4885CYP3A4 2154/4885CYP2D6 1254/4885
US-20240109891-A1 NOVEL SUBSTITUTED TRICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS SOS1, SOS2, KSR1 CYP1A2 3756/4885CYP3A4 3951/4885CYP2D6 3912/4885
US-20190194192-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOST, SOS2 CYP1A2 1427/4885CYP3A4 2277/4885CYP2D6 1324/4885
US-10829487-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 CYP1A2 910/4885CYP3A4 1541/4885CYP2D6 871/4885
US-20240109887-A1 NOVEL SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS SOS1, SOS2, KSR1 CYP1A2 3877/4885CYP3A4 3861/4885CYP2D6 3936/4885

“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.