SCHEMBL17280229

SCHEMBL17280229

c1cc(-c2c[nH]c(-c3cccs3)c2)cc(-c2c[nH]c(-c3cccs3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CDK8 P49336 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
LTA4H P09960 1/20 0.38
PARP1 P09874 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL29750731 0.81 CNR2 (0.38) POLBCDK8CCNB2CDK1CCNB1
SCHEMBL31499190 0.76 KMT2A (0.44) POLBCCNB2CDK1CCNB1GSK3B
SCHEMBL1334921 0.74 KCNH2 (0.59) PRMT6CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL17279986 0.72 ADORA3 (0.60) POLBCYP3A4MAPTMEN1KMT2A
SCHEMBL24697342 0.71 KMT2A (0.41) POLBCCNB2CDK1CCNB1GSK3B
SCHEMBL17280182 0.71 AURKA (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL28163372 0.71 KCNH2 (0.52) CDK8PRMT6CYP2E1CYP3A4CYP2A6
SCHEMBL1464252 0.71
SCHEMBL3417325 0.70 DPP4 (0.41) POLBCCNB2CDK1CCNB1GSK3B
SCHEMBL4338418 0.69 KCNH2 (0.58) PRMT6CYP2E1CYP3A4CYP2A6CYP2C9

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-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 US disclosed
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 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-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE HRH3, HELZ, NBAS POLB 4533/4885CDK8 1586/4885CCNB2 2702/4885
US-10012777-B2 Resin composition NBAS, WDR5, HRH3 POLB 4335/4885CDK8 1899/4885CCNB2 3151/4885
US-20180203175-A1 TRIAZOLE COMPOUND H1-10, TTI2, H1-2 POLB 1690/4885CDK8 820/4885CCNB2 66/4885

“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.