SCHEMBL5645754

SCHEMBL5645754

CN(C)Cc1cnc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.68
HTR2C P28335 7/20 0.68
MAPT P10636 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
F10 P00742 1/20 0.48
KLKB1 P03952 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
MAP4K4 O95819 1/20 0.47
CLK2 P49760 1/20 0.47
DYRK1A Q13627 1/20 0.47
SRPK1 Q96SB4 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL14619972 0.89 MCHR1 (0.56) MCHR1HTR2CMAPTTRPV1NPC1
SCHEMBL2925645 0.88 MCHR1 (0.55) MCHR1HTR2CTRPV1F10KLKB1
SCHEMBL5646747 0.87 MCHR1 (0.73) MCHR1HTR2CMAPTTRPV1NPC1
SCHEMBL2929377 0.85 MCHR1 (0.60) MCHR1HTR2CF10KLKB1NPC1
SCHEMBL2925533 0.81 MCHR1 (0.56) MCHR1HTR2CMAPTNPC1RAB9A
SCHEMBL5648064 0.81 MCHR1 (1.00) MCHR1HTR2CSMN1; SMN2CYP3A4
SCHEMBL2928407 0.80 MCHR1 (0.54) MCHR1F10KLKB1NPC1RAB9A
SCHEMBL5647227 0.80 MCHR1 (0.98) MCHR1HTR2CSMN1; SMN2CYP3A4
SCHEMBL5645535 0.80 KDM4E (0.56) MCHR1HTR2CMAPTNPC1RAB9A
SCHEMBL6308562 0.80 MCHR1 (0.58) MCHR1HTR2CTRPV1F10KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 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 (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-20050209213-A1 Quinoline compound MC1R, MC2R, TYR MCHR1 4/4885HTR2C 36/4885MAPT 4557/4885

“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.