SCHEMBL23854849

SCHEMBL23854849

COc1ccc(C#N)cc1-c1c(C#N)ccc(O)c1C(=O)N=C1NCCN1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
CTSA P10619 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ESRRA P11474 1/20 0.34
DYRK1A Q13627 1/20 0.34
AR P10275 2/20 0.34
PGR P06401 1/20 0.34
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
P4HB P07237 2/20 0.33
CHEK1 O14757 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TNIK Q9UKE5 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
TDP2 O95551 1/20 0.32

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
SCHEMBL21884486 0.90 CCNT1 (0.40) CCNT1CDK9
SCHEMBL23854862 0.88 PGR (0.40) ALDH1A1ARPGRMAPTMAOA
SCHEMBL21884559 0.87 CCNT1 (0.39) CCNT1CDK9
SCHEMBL21884489 0.85 GSK3B (0.38) DYRK1AARPGR
SCHEMBL21884535 0.82 AR (0.35) CTSAALDH1A1ARPGR
SCHEMBL21884532 0.82 PGR (0.35) CTSAALDH1A1ARPGRP4HB
SCHEMBL23854852 0.82 CCNT1 (0.38) CCNT1CDK9
SCHEMBL23854844 0.81 CCNT1 (0.38) CCNT1CDK9
SCHEMBL23875041 0.81 CCNT1 (0.38) CCNT1CDK9
SCHEMBL21885703 0.81 CCNT1 (0.33) KDM1ACTSACCNT1CDK9

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-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 KDM1A 3228/4885CTSA 822/4885ALDH1A1 1823/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 KDM1A 4569/4885CTSA 486/4885ALDH1A1 4382/4885

“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.