SCHEMBL13801487

SCHEMBL13801487

CC(C)Cc1cnc(N=Nc2ccc(Br)cc2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ GLB1 P16278 1/20 0.36
▸ CTRB1 P17538 1/20 0.36
▸ CTRC Q99895 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PPARD Q03181 2/20 0.31
▸ PPARA Q07869 2/20 0.31

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
SCHEMBL31457421 0.79 GLB1 (0.38) MAPTSMN1; SMN2GLB1CTRB1CTRC
SCHEMBL31457424 0.79 GLB1 (0.42) MAPTSMN1; SMN2GLB1CTRB1CTRC
SCHEMBL3709096 0.73 QPCT (0.44) SMN1; SMN2HTT
SCHEMBL12598586 0.67 AOC3 (0.47) MAPTMEN1KMT2ANFKB1LMNA
SCHEMBL13754481 0.64 HRH4 (0.55) —
SCHEMBL11691780 0.64 GLB1 (0.74) MAPTSMN1; SMN2GLB1CTRB1CTRC
SCHEMBL11809149 0.64 GLB1 (0.74) MAPTSMN1; SMN2GLB1CTRB1CTRC
SCHEMBL11691771 0.64 GLB1 (0.74) MAPTSMN1; SMN2GLB1CTRB1CTRC
SCHEMBL17279050 0.64 CYP2C9 (0.49) MAPTSMN1; SMN2GLB1CTRB1CTRC
SCHEMBL12775584 0.63 TSHR (0.35) MAPTKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 — — 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-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR MAPT 3484/4885SMN1; SMN2 3122/4885GLB1 3074/4885

“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.

Send feedback