SCHEMBL21132649

SCHEMBL21132649

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 7/20 0.43
▸ KRAS P01116 6/20 0.43
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ PNMT P11086 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ PDE2A O00408 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL29723304 1.00 SOS1 (0.43) SOS1KRASIDO1TDO2CYP1A2
SCHEMBL23412612 1.00 SOS1 (0.43) SOS1KRASIDO1TDO2CYP1A2
Hydrochloric Acid SCHEMBL29755614 0.98 SOS1 (0.42) SOS1KRASIDO1TDO2CYP1A2
Hydrochloric Acid SCHEMBL25300330 0.98 SOS1 (0.42) SOS1KRASIDO1TDO2CYP1A2
Hydrochloric Acid SCHEMBL23577813 0.98 SOS1 (0.42) SOS1KRASIDO1TDO2CYP1A2
Trifluoroacetic Acid SCHEMBL27094787 0.92 SOS1 (0.41) SOS1KRASIDO1TDO2PDE2A
SCHEMBL30991093 0.91 SOS1 (0.39) SOS1KRASIDO1TDO2P2RX7
SCHEMBL30991164 0.88 KRAS (0.35) SOS1KRASIDO1TDO2CYP1A2
SCHEMBL30991137 0.88 SOS1 (0.41) SOS1KRASIDO1TDO2P2RX7
SCHEMBL30991163 0.88 KRAS (0.35) SOS1KRASIDO1TDO2CYP1A2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435066-B2 Substituted tricyclic compounds LUPIN LIMITED (IN) 2025-10-07 — — US disclosed
US-20240247015-A1 PHOSPHORUS DERIVATIVES AS NOVEL SOS1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-07-25 — — US disclosed
CN-114746411-B Substituted tricyclic compounds 印度鲁宾有限公司 2024-06-25 — — CN disclosed
CN-118119600-A SOS1 inhibitors and uses thereof 治纳辅医药科技有限公司 2024-05-31 — — CN disclosed
US-20240109887-A1 NOVEL SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2024-04-04 — — US disclosed
CN-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 — — CN disclosed
EP-4322962-A1 PHOSPHORUS DERIVATIVES AS NOVEL SOS1 INHIBITORS Bayer Aktiengesellschaft (DE) 2024-02-21 — — EP disclosed
EP-4065575-B1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LTD (IN) 2024-01-31 — — EP disclosed
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 — — US disclosed
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 — — US disclosed
CN-114746411-A Substituted tricyclic compounds 印度鲁宾有限公司 2022-07-12 — — CN disclosed
CN-114685531-A Tetraheterocyclic compounds, pharmaceutical compositions and uses thereof 武汉誉祥医药科技有限公司 2022-07-01 — — CN disclosed
WO-2021249519-A1 PYRIDINE-PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2021-12-16 — — WO disclosed
WO-2021249475-A1 FUSED QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2021-12-16 — — WO disclosed
WO-2021130731-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-07-01 — — WO disclosed
WO-2021105960-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-06-03 — — WO disclosed
WO-2021105960-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-06-03 — — WO disclosed
US-20210009588-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-01-14 — — US 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 (7 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 SOS1 1/4885KRAS 187/4885IDO1 2771/4885
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 SOS1 1/4885KRAS 273/4885IDO1 2288/4885
US-20240247015-A1 PHOSPHORUS DERIVATIVES AS NOVEL SOS1 INHIBITORS SOST, PPM1D, SOS1 SOS1 3/4885KRAS 119/4885IDO1 4378/4885
US-20190194192-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOST, SOS2 SOS1 1/4885KRAS 185/4885IDO1 2829/4885
US-10829487-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 SOS1 1/4885KRAS 272/4885IDO1 2299/4885
US-20240109887-A1 NOVEL SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS SOS1, SOS2, KSR1 SOS1 1/4885KRAS 10/4885IDO1 3785/4885
US-12435066-B2 Substituted tricyclic compounds SOS1, RSU1, KSR1 SOS1 1/4885KRAS 6/4885IDO1 3087/4885

“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.

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