SCHEMBL13472115

SCHEMBL13472115

CC1CC(C)CN(CCC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
MAOB P27338 1/20 0.40
HRH4 Q9H3N8 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALPG P10696 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
CACNA1H O95180 1/20 0.33
HTR7 P34969 3/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL10032108 1.00 HRH3 (0.40) HRH3MAOBHRH4KDM4EALPG
SCHEMBL15696983 0.91 CACNA1H (0.35) HRH3MAOBCACNA1H
SCHEMBL12437254 0.87 HRH3 (0.44) HRH3MAOBHRH4KDM4EALPG
SCHEMBL13602681 0.85 HRH3 (0.43) HRH3MAOBHRH4KDM4EALPG
SCHEMBL23545093 0.83 CACNA1H (0.32) CACNA1H
SCHEMBL23905056 0.81 GBA1 (0.35) CACNA1H
SCHEMBL26886356 0.79 CACNA1H (0.34) CACNA1H
SCHEMBL13683459 0.78 CARM1 (0.39) HRH3MAOBKDM4EPOLB
SCHEMBL17307156 0.78 CARM1 (0.39) HRH3MAOBKDM4EPOLB
SCHEMBL10130266 0.78 CARM1 (0.39) HRH3MAOBKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472328-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2019-11-12 US disclosed
US-20190119219-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2019-04-25 US disclosed
US-10207996-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2019-02-19 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2017-01-19 US disclosed
US-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2017-01-19 US disclosed
US-9394257-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2015-12-03 US disclosed
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 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 (8 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 HRH3 1610/4885MAOB 773/4885HRH4 1502/4885
US-10472328-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM HRH3 2625/4885MAOB 3541/4885HRH4 2465/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 HRH3 258/4885MAOB 840/4885HRH4 272/4885
US-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM HRH3 2625/4885MAOB 3541/4885HRH4 2465/4885
US-10207996-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM HRH3 2625/4885MAOB 3541/4885HRH4 2465/4885
US-20190119219-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM HRH3 2625/4885MAOB 3541/4885HRH4 2465/4885
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM HRH3 2625/4885MAOB 3541/4885HRH4 2465/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HRH3 1610/4885MAOB 773/4885HRH4 1502/4885

“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.