SCHEMBL20497293

SCHEMBL20497293

Cn1cnc(C(=O)N[C@@H]2CCNC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 6/20 0.47
KDM5A P29375 1/20 0.44
PARP1 P09874 1/20 0.41
SYK P43405 2/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CBLB Q13191 2/20 0.39
SUV39H1 O43463 1/20 0.39
PRMT1 Q99873 1/20 0.39
CD38 P28907 1/20 0.39
PBK Q96KB5 1/20 0.39
MAPK1 P28482 1/20 0.39
OPRK1 P41145 1/20 0.39
MLLT3 P42568 1/20 0.39
MLLT1 Q03111 1/20 0.39

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
SCHEMBL17396123 1.00 SMYD3 (0.47) SMYD3KDM5APARP1SYKNPC1
SCHEMBL20497245 0.92 MAPK1 (0.48) SMYD3KDM5APARP1SYKNPC1
SCHEMBL20497287 0.92 MAPK1 (0.48) SMYD3KDM5APARP1SYKNPC1
SCHEMBL20497268 0.92 SMYD3 (0.52) SMYD3KDM5ASYKNPC1ALDH1A1
SCHEMBL9977773 0.80 SMN1; SMN2 (0.57) SMYD3KDM5ANPC1ALDH1A1CYP1A2
SCHEMBL20497236 0.75 KDM5A (0.52) SMYD3KDM5ASYKNPC1ALDH1A1
SCHEMBL17518488 0.74 SMYD3 (0.51) SMYD3KDM5ANPC1ALDH1A1CYP1A2
SCHEMBL22883635 0.74 SMYD3 (0.51) SMYD3KDM5ANPC1ALDH1A1CYP1A2
SCHEMBL29448436 0.74 SMYD3 (0.51) SMYD3KDM5ANPC1ALDH1A1CYP1A2
SCHEMBL3460000 0.72 SMYD3 (0.55) SMYD3KDM5AALDH1A1SMN1; SMN2PBK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626104-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-21 US disclosed
US-10414750-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-09-17 US disclosed
US-20190194162-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20180265491-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2018-09-20 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 (4 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-10626104-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A SMYD3 42/4885KDM5A 4/4885PARP1 558/4885
US-10414750-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A SMYD3 42/4885KDM5A 4/4885PARP1 558/4885
US-20190194162-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A SMYD3 42/4885KDM5A 4/4885PARP1 558/4885
US-20180265491-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A SMYD3 42/4885KDM5A 4/4885PARP1 558/4885

“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.