SCHEMBL23875006

SCHEMBL23875006

COc1ccc(F)cc1-c1c(Cl)ccc(O)c1C(=O)N=C1NCCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.37
CCNT1 O60563 11/20 0.35
CDK9 P50750 11/20 0.35
PIN1 Q13526 1/20 0.35
ERN1 O75460 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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 0.85 CCNT1 (0.40) CCNT1CDK9
SCHEMBL23875005 0.83 STK10 (0.41) CCNT1CDK9MEN1NPC1MAPK1
SCHEMBL21884559 0.82 CCNT1 (0.39) CCNT1CDK9
SCHEMBL21884797 0.78 P2RX7 (0.32)
SCHEMBL23854852 0.77 CCNT1 (0.38) CCNT1CDK9
SCHEMBL23854844 0.76 CCNT1 (0.38) CCNT1CDK9
SCHEMBL23875041 0.76 CCNT1 (0.38) CCNT1CDK9
SCHEMBL21885735 0.76 WDR5 (0.44) MEN1KMT2ASMN1; SMN2
SCHEMBL23854853 0.76 CCNT1 (0.36) CCNT1CDK9
SCHEMBL21884560 0.76 CCNT1 (0.36) CCNT1CDK9

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-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

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 SLC9A1 125/4885CCNT1 4085/4885CDK9 4006/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 SLC9A1 4677/4885CCNT1 4017/4885CDK9 2832/4885

“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.