SCHEMBL21648660

SCHEMBL21648660

CCC/C=N\c1ccccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL11054888 0.86 CYP2C9 (0.41) GAANPC1RAB9ACYP2C9CYP3A4
SCHEMBL11054883 0.86 CYP2C9 (0.41) GAANPC1RAB9ACYP2C9CYP3A4
SCHEMBL24289374 0.84 NPC1 (0.48) GAANPC1RAB9AL3MBTL1CYP2C9
SCHEMBL1758445 0.78 CYP2C9 (0.53) GAANPC1RAB9AL3MBTL1CYP2C9
SCHEMBL1758444 0.78 CYP2C9 (0.53) GAANPC1RAB9AL3MBTL1CYP2C9
SCHEMBL175353 0.76 CYP2C9 (0.53) GAANPC1RAB9ACYP2C9CYP3A4
SCHEMBL175352 0.76 CYP2C9 (0.53) GAANPC1RAB9ACYP2C9CYP3A4
SCHEMBL30132730 0.74 ALDH1A1 (0.44) GAANPC1RAB9ACYP2C9CYP3A4
SCHEMBL12620532 0.74 CHAT (0.47) GAAL3MBTL1CYP2C9CYP3A4CYP2D6
SCHEMBL14369246 0.74 CHAT (0.47) GAAL3MBTL1CYP2C9CYP3A4CYP2D6

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-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
US-11524959-B1 Indole and azaindole inhibitors of pad enzymes BRISTOL-MYERS SQUIBB COMPANY (US) 2022-12-13 US disclosed
US-11352360-B2 TGF-beta inhibitors Rigel Pharmaceuticals, hic. (US) 2022-06-07 US disclosed
US-20200031832-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2020-01-30 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 (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-11352360-B2 TGF-beta inhibitors TGFBR1, TGFBR2, TGFB1 GAA 1599/4885NPC1 2491/4885RAB9A 2258/4885
US-20230002387-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ENPP1, ENPP3, PNP GAA 1553/4885NPC1 3100/4885RAB9A 1241/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 GAA 1599/4885NPC1 2491/4885RAB9A 2258/4885
US-11524959-B1 Indole and azaindole inhibitors of pad enzymes PADI4, PADI1, PADI2 GAA 1767/4885NPC1 4491/4885RAB9A 4051/4885

“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.