SCHEMBL24846512

SCHEMBL24846512

Nc1nc(SCCc2ccccc2)c2[nH]cnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 1.00
CYP3A4 P08684 5/20 1.00
CYP2C19 P33261 5/20 1.00
CYP2D6 P10635 4/20 1.00
CYP2C9 P11712 3/20 1.00
NUDT1 P36639 2/20 1.00
ALDH1A1 P00352 2/20 1.00
TOP2A P11388 1/20 1.00
HPGD P15428 1/20 1.00
HIF1A Q16665 1/20 1.00
HSD17B10 Q99714 1/20 1.00
PIN1 Q13526 2/20 0.78
POLB P06746 1/20 0.78
LMNA P02545 2/20 0.65
NPC1 O15118 1/20 0.65
HTT P42858 1/20 0.65
RAB9A P51151 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.64
CDK1 P06493 3/20 0.61
CCNB1 P14635 2/20 0.61

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
SCHEMBL24846509 0.94 CYP1A2 (0.88) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL2115657 0.88 PIN1 (1.00) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL9872864 0.80 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL27485471 0.79 CDK2 (0.65) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL13742763 0.78 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL24846960 0.78 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL24846493 0.78 ENPP1 (0.73) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL24846433 0.77 CYP1A2 (0.79) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL24846524 0.77 PIN1 (0.75) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL16758710 0.77 MAP3K5 (0.69) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002387-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ATEN PORUS LIFESCIENCES PVT. LTD. (IN) 2023-01-05 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 (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-20230002387-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ENPP1, ENPP3, PNP CYP1A2 3194/4885CYP3A4 3336/4885CYP2C19 3146/4885

“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.