SCHEMBL25136188

SCHEMBL25136188

Cc1cc(C(=O)NC2CCC(C(F)F)CC2)nc(-c2cncn2C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 2/20 0.37
RBP4 P02753 1/20 0.37
TTR P02766 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
IDO1 P14902 1/20 0.36
CYP2B6 P20813 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
SPR P35270 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
DPP4 P27487 1/20 0.34

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
SCHEMBL29182201 1.00 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL25136297 1.00 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL29182194 0.89 NPC1 (0.37) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL30182779 0.89 NPC1 (0.37) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL25136214 0.89 NPC1 (0.37) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL25135950 0.88 RORC (0.37) RBP4TTRCYP3A4CYP2D6IDO1
SCHEMBL30182612 0.88 RORC (0.37) RBP4TTRCYP3A4CYP2D6IDO1
SCHEMBL29182202 0.88 RORC (0.37) RBP4TTRCYP3A4CYP2D6IDO1
SCHEMBL25136199 0.88 HPGDS (0.35) ALDH1A1HPGDRBP4TTRCYP3A4
SCHEMBL29182168 0.88 HPGDS (0.35) ALDH1A1HPGDRBP4TTRCYP3A4

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
EP-4370512-A1 CD38 MODULATORS AND METHODS OF USE THEREOF Cytokinetics, Inc. (US) 2024-05-22 EP disclosed
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 US disclosed
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 US disclosed
WO-2023288195-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. (US) 2023-01-19 WO 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 (1 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT ALDH1A1 358/4885HPGD 754/4885SMN1; SMN2 2652/4885

“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.