SCHEMBL21132891

SCHEMBL21132891

O=C(c1cccc(Br)c1F)[C@H]1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
POLB P06746 3/20 0.43
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL21132657 1.00 ALDH1A1 (0.43) ALDH1A1POLBGAAKDM4ESMN1; SMN2
SCHEMBL24681676 1.00 ALDH1A1 (0.43) ALDH1A1POLBGAAKDM4ESMN1; SMN2
SCHEMBL29980474 0.85 GAA (0.48) ALDH1A1POLBGAAKDM4ESMN1; SMN2
SCHEMBL25020656 0.83 ALDH1A1 (0.38) ALDH1A1POLBGAAKDM4ESMN1; SMN2
SCHEMBL2227563 0.77 HPGD (0.46) ALDH1A1POLBGAAKDM4ESMN1; SMN2
SCHEMBL14831804 0.77 PDK2 (0.41) NPC1
SCHEMBL29283156 0.73 GAA (0.66) ALDH1A1GAAKDM4ESMN1; SMN2TDP1
SCHEMBL23326600 0.71 USP30 (0.38) POLBSMN1; SMN2LMNA
SCHEMBL21132553 0.71 HPGD (0.56) ALDH1A1POLBGAAKDM4EHPGD
SCHEMBL29723381 0.71 HPGD (0.56) ALDH1A1POLBGAAKDM4EHPGD

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 5 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
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 (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 ALDH1A1 1453/4885POLB 4334/4885GAA 3531/4885
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 ALDH1A1 1272/4885POLB 4404/4885GAA 3390/4885
US-20190194192-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOST, SOS2 ALDH1A1 1511/4885POLB 4281/4885GAA 3543/4885
US-10829487-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 ALDH1A1 1301/4885POLB 4358/4885GAA 3418/4885

“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.