SCHEMBL16396103

SCHEMBL16396103

FC(F)(F)c1ccc(Oc2cc(I)cc(Cl)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 2/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 3/20 0.40
GRM5 P41594 1/20 0.38
SCN9A Q15858 8/20 0.37
SCN10A Q9Y5Y9 4/20 0.36
SCN8A Q9UQD0 1/20 0.36
POLB P06746 1/20 0.36
FPR2 P25090 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL16395767 0.99 CYP1A2 (0.44) CYP1A2CYP2C9KDM4EL3MBTL1MAPT
SCHEMBL16396910 0.84 CYP1A2 (0.42) CYP1A2CYP2C9KDM4EL3MBTL1MAPT
SCHEMBL31409595 0.84 L3MBTL1 (0.44) CYP1A2CYP2C9KDM4EL3MBTL1MAPT
SCHEMBL3235903 0.70 ADORA2A (0.39) KDM4ECYP2C19KMT2A
SCHEMBL30132706 0.69 LOXL2 (0.46) CYP1A2CYP2C9L3MBTL1BLMSCN9A
SCHEMBL20554063 0.69 LOXL2 (0.46) CYP1A2CYP2C9L3MBTL1BLMSCN9A
SCHEMBL20406377 0.68 BLM (0.48) CYP1A2CYP2C9BLMGRM5SCN9A
SCHEMBL2301904 0.68 IGF1R (0.32)
SCHEMBL20554335 0.68 RORC (0.41) CYP1A2CYP2C9KDM4EL3MBTL1ATM
SCHEMBL28356864 0.68 IGF1R (0.44) CYP1A2CYP2C9KDM4EL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 EP disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 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 (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-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A CYP1A2 2598/4885CYP2C9 3058/4885KDM4E 3676/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A CYP1A2 2598/4885CYP2C9 3058/4885KDM4E 3676/4885

“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.