SCHEMBL17829964

SCHEMBL17829964

CNCCCNc1nc(-c2cc(-c3ccccc3Cl)cc(C(F)(F)F)c2)nc2c(C)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.37
CYP3A4 P08684 5/20 0.37
CYP2C19 P33261 4/20 0.37
CLK4 Q9HAZ1 3/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.35
CYP2D6 P10635 2/20 0.35
SYK P43405 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 5/20 0.34
RAD52 P43351 1/20 0.34
MEN1 O00255 4/20 0.34
USP2 O75604 2/20 0.34
POLB P06746 2/20 0.34
ACP1 P24666 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
APEX1 P27695 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
SCHEMBL17833287 0.91 SYK (0.44) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL17833150 0.90 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL17829881 0.90 RAD52 (0.47) MAPK1ALDH1A1KMT2ARAD52POLB
SCHEMBL17833283 0.89 SYK (0.40) CYP1A2CYP3A4CYP2C19MAPK1ALDH1A1
SCHEMBL17833280 0.88 SYK (0.37) ALDH1A1SYKKDM4EGAAKMT2A
SCHEMBL17833161 0.87 KMT2A (0.40) ALDH1A1SYKKDM4EGAAKMT2A
SCHEMBL17833238 0.86 TNKS (0.41) ALDH1A1SYKKDM4EGAAKMT2A
SCHEMBL17833235 0.86 SYK (0.43) MAPK1ALDH1A1SYKKDM4EGAA
SCHEMBL17833279 0.84 CTNNB1 (0.37) ALDH1A1SYKKDM4EGAAKMT2A
SCHEMBL17829910 0.84 SYK (0.44) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 CYP1A2 3147/4885CYP3A4 1808/4885CYP2C19 1097/4885

“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.