SCHEMBL13336367

SCHEMBL13336367

Cc1ccc2ncc(I)n2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
KDM4E B2RXH2 3/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAP3K14 Q99558 1/20 0.36
THRB P10828 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
KDM5A P29375 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
SCHEMBL20903418 0.84 CYP1A2 (0.45) CYP1A2CYP2C9KDM4EGLAGAA
SCHEMBL25045604 0.79 CYP1A2 (0.33) CYP1A2CYP2C9POLB
SCHEMBL10238918 0.79 CYP1A2 (0.56) CYP1A2CYP2C9KDM4EGLAGAA
SCHEMBL24834577 0.77 CYP1A2 (0.50) CYP1A2CYP2C9KDM4EGLAGAA
SCHEMBL23103530 0.77 CYP1A2 (0.50) CYP1A2CYP2C9KDM4EGLAGAA
SCHEMBL20125127 0.76 CYP1A2 (0.53) CYP1A2CYP2C9KDM4EGLAGAA
SCHEMBL3325146 0.76 POLB (0.51) POLBMAP3K14PRMT5WDR77NPC1
SCHEMBL21083341 0.76 CYP1A2 (0.53) CYP1A2CYP2C9KDM4EGLAGAA
SCHEMBL1355409 0.76 ADORA2A (0.40) KDM4EALDH1A1HPGDCYP11B1CYP11B2
SCHEMBL13692821 0.76 CYP1A2 (0.53) CYP1A2CYP2C9KDM4EGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors MIRATI THERAPEUTICS INC (US) 2024-06-27 US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-8513276-B2 Imidazo[1,2-a]pyridine compounds for use in treating cancer ASTEX THERAPEUTICS LIMITED (GB) 2013-08-20 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100093718-A1 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP 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 (3 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-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors PRMT1, PRMT5, PRMT6 CYP1A2 4055/4885CYP2C9 3776/4885KDM4E 644/4885
US-20100093718-A1 Compounds FGFR1, FGFR2, PDGFRB CYP1A2 484/4885CYP2C9 432/4885KDM4E 1582/4885
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 CYP1A2 1427/4885CYP2C9 798/4885KDM4E 928/4885

“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.