SCHEMBL167846

SCHEMBL167846

CC(C)c1ccc2c3c([nH]c2c1)CCN(C)C3

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.57
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 2/20 0.53
USP2 O75604 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.50
HTR6 P50406 5/20 0.49
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 2/20 0.48
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL2191791 0.89 L3MBTL1 (0.68) CHRNA7L3MBTL1ALOX15HSD17B10USP2
SCHEMBL20883952 0.89 KDM4E (0.62) CHRNA7L3MBTL1ALOX15HSD17B10USP2
SCHEMBL15977201 0.82 L3MBTL1 (0.76) CHRNA7L3MBTL1ALOX15HSD17B10USP2
SCHEMBL168351 0.81 CHRNA7 (0.64) CHRNA7L3MBTL1ALOX15HSD17B10USP2
SCHEMBL2185371 0.81 CHRNA7 (0.64) CHRNA7L3MBTL1ALOX15HSD17B10USP2
SCHEMBL27099161 0.81 CHRNA7 (0.64) CHRNA7L3MBTL1ALOX15HSD17B10USP2
SCHEMBL20890503 0.79 CHRNA7 (0.61) CHRNA7L3MBTL1ALOX15HSD17B10USP2
SCHEMBL2190132 0.78 CHRNA7 (0.59) CHRNA7L3MBTL1ALOX15HSD17B10USP2
SCHEMBL168248 0.77 CHRNA7 (1.00) CHRNA7L3MBTL1ALOX15HSD17B10USP2
SCHEMBL3431007 0.77 KDM4E (0.55) ALOX15HSD17B10USP2KDM4EALDH1A1

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-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-9255094-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-09 US disclosed
US-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-05-31 US disclosed
EP-2424364-A1 PYRIDO [4,3-B] INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-03-07 EP disclosed
WO-2010127177-A1 PYRIDO [4,3-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-11-04 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 (5 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-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 CHRNA7 4881/4885L3MBTL1 1524/4885ALOX15 1144/4885
US-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CHRNA7 63/4885L3MBTL1 4552/4885ALOX15 860/4885
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CHRNA7 63/4885L3MBTL1 4552/4885ALOX15 860/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 CHRNA7 4870/4885L3MBTL1 3039/4885ALOX15 661/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 CHRNA7 4881/4885L3MBTL1 1524/4885ALOX15 1144/4885

“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.