SCHEMBL8950238

SCHEMBL8950238

CC(C)n1ncnc1C(=O)N(C)C

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CG P48736 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
SCHEMBL7997558 0.83 MLYCD (0.31)
SCHEMBL1431710 0.79 KDM4E (0.36) KMT2AKDM4EALDH1A1HPGD
SCHEMBL1485662 0.79 SRC (0.35) KDM4EALDH1A1PIK3CDPIK3CAPIK3CG
SCHEMBL18018738 0.78 DGAT1 (0.33) ALDH1A1PIK3CA
Lithium SCHEMBL30893549 0.78 KDM4E (0.36) KMT2AKDM4EALDH1A1HPGD
SCHEMBL12410702 0.78 PIK3CA (0.39) PIK3CDPIK3CAPIK3CG
Lithium Ion SCHEMBL25376591 0.76 DGAT1 (0.30)
SCHEMBL15139623 0.76 KMT2A (0.33) KMT2AKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL8950240 0.75 PIK3CA (0.38) PIK3CA
SCHEMBL12410910 0.75 NPSR1 (0.33) KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 US disclosed
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 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 (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-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD KMT2A 3191/4885KDM4E 3088/4885ALDH1A1 269/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD KMT2A 3191/4885KDM4E 3088/4885ALDH1A1 269/4885
US-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 KMT2A 4676/4885KDM4E 3990/4885ALDH1A1 678/4885

“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.