SCHEMBL6804264

SCHEMBL6804264

Cc1cn(-c2cccc(NC(=O)c3cccc4c3Cc3ccccc3-4)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 9/20 0.52
MAPK13 O15264 1/20 0.46
LDLR P01130 3/20 0.44
PCSK9 Q8NBP7 3/20 0.44
KIT P10721 2/20 0.44
DDR2 Q16832 2/20 0.44
DDR1 Q08345 1/20 0.44
PPARG P37231 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
PDGFRB P09619 2/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT3 P36888 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6803481 0.83 PPARG (0.42) PPARGCYP2C9TSHRDRD2DRD4
SCHEMBL6757844 0.82 PPARG (0.41) PPARGCYP2C9TSHRDRD2DRD4
SCHEMBL6628576 0.76 CYP2C9 (0.56) PPARGCYP2C9TSHRDRD2DRD4
SCHEMBL6808666 0.76 NR2E1 (0.56) NR2E1MAPK13LDLRPCSK9KIT
SCHEMBL7479042 0.75 L3MBTL1 (0.44) PPARGCYP2C9TSHRL3MBTL1NPC1
SCHEMBL6756601 0.75 HSP90AA1 (0.38) NR2E1PPARGCYP2C9TSHRDRD2
SCHEMBL31285175 0.74 ABL1 (0.45) PPARGCYP2C9TSHRABL1DRD2
SCHEMBL678882 0.74 ALDH1A1 (0.59) PPARGCYP2C9TSHRNPC1RAB9A
SCHEMBL6757729 0.74 KDM4E (0.41) TSHRNPC1RAB9A
SCHEMBL6754382 0.73 PPARG (0.48) PPARGCYP2C9TSHRNPC1RAB9A

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-20040266774-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
US-6770667-B1 N-((IMIDAZOLYL)-PHENYL)-FLUORENE-1-CARBOXAMIDE DERIVATIVES; 5-HYDROXYTRYPTAMINE (5-HT) ANTAGONISTS; PSYCHOLOGICAL, NERVOUS SYSTEM, EATING, BRAIN AND SLEEP DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 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-20040266774-A1 Amide compounds TPH1, HTR1A, HTR5A NR2E1 1288/4885MAPK13 4003/4885LDLR 3759/4885

“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.