SCHEMBL4601692

SCHEMBL4601692

O=C(OC(=O)C(F)(F)F)c1c(Cc2ccncc2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
DHODH Q02127 4/20 0.41
PDE10A Q9Y233 3/20 0.41
TSHR P16473 1/20 0.40
CYP2C9 P11712 1/20 0.39
TP53 P04637 1/20 0.39
TACR3 P29371 5/20 0.38
POLB P06746 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.38
TACR2 P21452 2/20 0.37

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
Trifluoroacetic Acid SCHEMBL4601688 0.84 DHODH (0.50) LMNADHODHPDE10ATSHRCYP2C9
SCHEMBL4601332 0.81 DHODH (0.57) LMNADHODHPDE10ATSHRTP53
Hydrochloric Acid SCHEMBL4602422 0.81 DHODH (0.56) LMNADHODHPDE10ATSHRTP53
SCHEMBL5005010 0.72 TACR3 (0.55) CYP2C9TACR3CYP2D6CYP2C19TACR2
SCHEMBL14610182 0.72 TACR3 (0.58) CYP2C9TACR3CYP2D6CYP2C19TACR2
SCHEMBL4601922 0.71 DHODH (0.56) LMNADHODHPDE10ATSHRTP53
SCHEMBL4603265 0.71 TACR3 (0.57) TSHRCYP2C9TACR3CYP2D6KDM4E
SCHEMBL14009520 0.70 TACR3 (0.77) TSHRCYP2C9TP53TACR3CYP2D6
SCHEMBL5001458 0.70 TACR3 (0.77) TSHRCYP2C9TP53TACR3CYP2D6
SCHEMBL27725840 0.70 TACR3 (0.53) CYP2C9TACR3CYP2D6CYP2C19TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287492-A1 Alkylpyridyl Quinolines as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1915361-A1 ALKYLPYRIDYL QUINOLINES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018466-A1 ALKYLPYRIDYL QUINOLINES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 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 (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-20080287492-A1 Alkylpyridyl Quinolines as Nk3 Receptor Modulators ADORA3, KCNA3, TACR1 LMNA 3173/4885DHODH 3718/4885PDE10A 1635/4885

“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.