SCHEMBL18665817

SCHEMBL18665817

CSc1cc(C#N)ccc1/C=N\C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ABCB1 P08183 7/20 0.33
▸ GPR119 Q8TDV5 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.32
▸ RAD51 Q06609 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
SCHEMBL18666130 0.82 SIRT1 (0.35) ABCB1GPR119EGLN2RAD51
SCHEMBL18665819 0.81 RAD51 (0.40) KMT2AMEN1ABCB1GPR119RAD51
SCHEMBL17048614 0.76 KDM4E (0.45) KMT2AMEN1GPR119
SCHEMBL18665796 0.76 KDM4E (0.45) KMT2AMEN1GPR119
SCHEMBL17048612 0.76 KDM4E (0.45) KMT2AMEN1GPR119
SCHEMBL122620 0.71 KMT2A (0.41) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL21665877 0.65 CTSS (0.43) KMT2APPARA
SCHEMBL12522736 0.65 ALDH1A1 (0.43) KMT2AMEN1CYP1A2CYP2C19L3MBTL1
SCHEMBL29219560 0.65 ALDH1A1 (0.43) KMT2AMEN1CYP1A2CYP2C19L3MBTL1
SCHEMBL16962042 0.64 KMT2A (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2D6

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
EP-3350173-B1 STEREOSELECTIVE PROCESS BOEHRINGER INGELHEIM INT (DE) 2020-02-12 — — EP disclosed
EP-3599234-A1 STEREOSELECTIVE PROCESS Boehringer Ingelheim International GmbH (DE) 2020-01-29 — — EP disclosed
US-10189776-B2 Stereoselective process BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-29 — — US disclosed
WO-2017046355-A1 STEREOSELECTIVE PROCESS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-23 — — 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 (1 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-10189776-B2 Stereoselective process CYP4A11, CYP4B1, CYP3A4 KMT2A 4603/4885MEN1 1402/4885CYP1A2 34/4885

“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.

Send feedback