SCHEMBL21676894

SCHEMBL21676894

CSc1nccc(Nc2ccccc2N)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPK10 P53779 1/20 0.53
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ROCK1 Q13464 2/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EGFR P00533 1/20 0.41
BCL6 P41182 1/20 0.41
MAPT P10636 5/20 0.40
GAA P10253 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.40
KDM1A O60341 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL20632859 0.78 ROCK1 (0.45) MEN1KMT2ANPC1RAB9AROCK1
SCHEMBL21642888 0.78 ROCK1 (0.45) MEN1KMT2ANPC1RAB9AROCK1
SCHEMBL2228112 0.78 AURKA (0.59) MEN1KMT2ANPC1RAB9AROCK1
SCHEMBL18387036 0.76 MAPK10 (0.57) MEN1KMT2AMAPK10ROCK1EGFR
SCHEMBL1163079 0.73 KMT2A (0.50) MEN1KMT2ANPC1RAB9AROCK1
SCHEMBL19709445 0.72 KMT2A (0.54) MEN1KMT2AMAPK10NPC1BCL6
SCHEMBL2779777 0.72 MEN1 (0.50) MEN1KMT2AMAPK10NPC1RAB9A
SCHEMBL1172331 0.72 EPHB4 (0.57)
SCHEMBL5914036 0.71 MEN1 (0.51) MEN1KMT2ANPC1RAB9AROCK1
SCHEMBL4630896 0.71 CCR4 (0.39) MEN1KMT2ANPC1RAB9APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781201-B2 Benzimidazole derivative having JNK inhibitory activity and use thereof INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2020-09-22 US disclosed
US-20200039959-A1 NOVEL BENZIMIDAZOLE DERIVATIVE HAVING JNK INHIBITORY ACTIVITY AND USE THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2020-02-06 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 (2 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-20200039959-A1 NOVEL BENZIMIDAZOLE DERIVATIVE HAVING JNK INHIBITORY ACTIVITY AND USE THEREOF MAPKAPK3, MAPK3, MAP3K3 MEN1 4509/4885KMT2A 2497/4885MAPK10 50/4885
US-10781201-B2 Benzimidazole derivative having JNK inhibitory activity and use thereof MAPKAPK3, MAPK3, MAP3K3 MEN1 4421/4885KMT2A 2317/4885MAPK10 50/4885

“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.