SCHEMBL21132427

SCHEMBL21132427

C/C(=N\[S@+]([O-])C(C)(C)C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ GAA P10253 1/20 0.49
▸ CES2 O00748 1/20 0.46
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ VNN1 O95497 1/20 0.39

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
SCHEMBL29949168 1.00 KMT2A (0.52) KMT2AMEN1GAACES2POLB
SCHEMBL20792450 1.00 KMT2A (0.52) KMT2AMEN1GAACES2POLB
SCHEMBL22321401 1.00 KMT2A (0.52) KMT2AMEN1GAACES2POLB
SCHEMBL21133184 0.91 KMT2A (0.43) KMT2AMEN1GAACES2POLB
SCHEMBL29755156 0.91 KMT2A (0.43) KMT2AMEN1GAACES2POLB
SCHEMBL21133185 0.91 KMT2A (0.43) KMT2AMEN1GAACES2POLB
SCHEMBL29180795 0.91 KMT2A (0.43) KMT2AMEN1GAACES2POLB
SCHEMBL23578370 0.87 KMT2A (0.40) KMT2AMEN1GAACES2POLB
SCHEMBL23578368 0.87 KMT2A (0.40) KMT2AMEN1GAACES2POLB
SCHEMBL24943389 0.87 KMT2A (0.40) KMT2AMEN1GAACES2POLB

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
US-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-17 — — US 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 KMT2A 3577/4885MEN1 190/4885GAA 3531/4885
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 KMT2A 2989/4885MEN1 112/4885GAA 3390/4885
US-20190194192-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOST, SOS2 KMT2A 3605/4885MEN1 201/4885GAA 3543/4885
US-10829487-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 KMT2A 3027/4885MEN1 115/4885GAA 3418/4885
US-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOS2, SOST KMT2A 3346/4885MEN1 128/4885GAA 2655/4885

“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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