SCHEMBL3630405

SCHEMBL3630405

CN(C)C(=O)C12CCC(CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.33
GAA P10253 2/20 0.32
HSD11B1 P28845 3/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL30526377 0.81 MEN1 (0.45) KMT2AMEN1ALDH1A1NPSR1TSHR
SCHEMBL24124378 0.80 NPSR1 (0.36) KMT2AMEN1ALDH1A1NPSR1HTT
SCHEMBL31043942 0.80 MEN1 (0.35) KMT2AMEN1ALDH1A1NPSR1HTT
SCHEMBL2849063 0.77 MEN1 (0.50) KMT2AMEN1ALDH1A1NPSR1TSHR
SCHEMBL9512535 0.75 ALDH1A1 (0.42) KMT2AALDH1A1NPSR1HTTTSHR
SCHEMBL6058712 0.74 MEN1 (0.59) KMT2AMEN1ALDH1A1NPSR1TSHR
SCHEMBL3079757 0.74 ALDH1A1 (0.41) KMT2AALDH1A1NPSR1HTTTSHR
SCHEMBL28417551 0.74 ALDH1A1 (0.41) KMT2AALDH1A1NPSR1HTTLMNA
SCHEMBL218350 0.72 ALDH1A1 (0.40) KMT2AALDH1A1NPSR1HTTTSHR
SCHEMBL15515009 0.72 ALDH1A1 (0.40) KMT2AALDH1A1NPSR1HTTHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2242776-A1 MOLAR RATIO MODIFICATIONS TO LARGER POLYOLEFIN CATALYSTS BASF Corporation (US) 2010-10-27 EP disclosed
WO-2009088596-A1 MOLAR RATIO MODIFICATIONS TO LARGER POLYOLEFIN CATALYSTS BASF CATALYSTS LLC (US) 2009-07-16 WO 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 (2 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-20190194192-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOST, SOS2 KMT2A 3605/4885MEN1 201/4885ALDH1A1 1511/4885
US-10829487-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 KMT2A 3027/4885MEN1 115/4885ALDH1A1 1301/4885

“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.