SCHEMBL21132592

SCHEMBL21132592

CC(=O)c1cccc(C(C)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.56
▸ TAS1R3 Q7RTX0 1/20 0.54
▸ TAS1R1 Q7RTX1 1/20 0.54
▸ CES2 O00748 1/20 0.53
▸ MAOB P27338 2/20 0.49
▸ KIF11 P52732 2/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SRD5A2 P31213 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL30093723 0.86 CES2 (0.71) CES2MAOBMEN1KMT2ANPSR1
SCHEMBL39834 0.86 CES2 (0.71) CES2MAOBMEN1KMT2ANPSR1
SCHEMBL3932481 0.85 SRD5A2 (0.57) ACHETAS1R3TAS1R1CES2KIF11
SCHEMBL29408183 0.85 SRD5A2 (0.57) ACHETAS1R3TAS1R1CES2KIF11
SCHEMBL309330 0.84 ACHE (0.65) ACHECES2KIF11MEN1KMT2A
SCHEMBL23412490 0.84 ACHE (0.51) ACHECES2MAOBKIF11MEN1
SCHEMBL1725123 0.84 ACHE (0.51) ACHECES2MAOBKIF11MEN1
SCHEMBL2096723 0.83 CES2 (0.52) ACHECES2MAOBKIF11MEN1
SCHEMBL3600911 0.83 ACHE (0.54) ACHETAS1R3TAS1R1CES2KIF11
SCHEMBL548539 0.82 ACHE (0.53) ACHECES2MAOBKIF11MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4219493-A1 BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2023-08-02 — — EP disclosed
EP-3728254-B1 BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-02-15 — — EP disclosed
WO-2022268209-A1 DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF 四川汇宇制药股份有限公司 2022-12-29 — — WO disclosed
WO-2022156792-A1 HETEROCYCLIC COMPOUNDS AS SOS1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-07-28 — — 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 (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-20210009588-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOST, SOS2 ACHE 4309/4885TAS1R3 1574/4885TAS1R1 689/4885
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 ACHE 4423/4885TAS1R3 1920/4885TAS1R1 920/4885
US-20190194192-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOST, SOS2 ACHE 4339/4885TAS1R3 1642/4885TAS1R1 768/4885
US-10829487-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 ACHE 4433/4885TAS1R3 1973/4885TAS1R1 996/4885

“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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