SCHEMBL12237807

SCHEMBL12237807

Cc1ccc(C(=O)N2CCN(CC3CC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
PKM P14618 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HPGD P15428 2/20 0.54
KCNA5 P22460 2/20 0.53
KDM4E B2RXH2 2/20 0.52
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
KDM2B Q8NHM5 1/20 0.52
USP2 O75604 1/20 0.51
HSD11B1 P28845 1/20 0.51
MGLL Q99685 1/20 0.51
NAMPT P43490 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL18754048 0.94 NAMPT (0.58) ALDH1A1PKMMEN1KMT2AHPGD
SCHEMBL24185576 0.85 HPGD (0.58) ALDH1A1KMT2AHPGDKDM4EPOLB
SCHEMBL18753913 0.85 CA12 (0.54) ALDH1A1PKMKDM4EPOLBGAA
SCHEMBL10293610 0.84 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AHPGDKCNA5
SCHEMBL17886775 0.84 MEN1 (0.64) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL21214474 0.84 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL18753561 0.84 NAMPT (0.57) ALDH1A1PKMMEN1KMT2AHPGD
SCHEMBL21036801 0.82 NAMPT (0.58) ALDH1A1PKMMEN1KMT2AKDM4E
SCHEMBL4557193 0.82 ALDH1A1 (0.84) ALDH1A1PKMMEN1KMT2AHPGD
SCHEMBL10726712 0.82 ALDH1A1 (0.84) ALDH1A1PKMMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
EP-2448582-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2017-04-19 EP disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-8853420-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-8853420-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-20110263565-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263565-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2010012747-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 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 (3 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 ALDH1A1 1339/4885PKM 277/4885MEN1 2118/4885
US-20110263565-A1 COMPOUNDS MKI67, CCNA1, CCNT1 ALDH1A1 65/4885PKM 1271/4885MEN1 161/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 ALDH1A1 1339/4885PKM 277/4885MEN1 2118/4885

“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.