SCHEMBL13637172

SCHEMBL13637172

CCc1ccc(-c2ccncn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.60
METAP2 P50579 1/20 0.44
RAB9A P51151 7/20 0.42
NPC1 O15118 5/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
GSK3B P49841 1/20 0.42
NISCH Q9Y2I1 1/20 0.40
FAAH O00519 1/20 0.39
CA12 O43570 1/20 0.38
ALPL P05186 1/20 0.38
CA9 Q16790 1/20 0.38
MAP4K4 O95819 1/20 0.38
EGFR P00533 1/20 0.38
FRK P42685 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1A1 P48729 1/20 0.38

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
SCHEMBL9903935 0.83 CYP2D6 (0.60) CYP2D6MAPTLMNAGSK3BMAP4K4
SCHEMBL6852363 0.81 CYP2D6 (0.51) CYP2D6MAPTGSK3BMAP4K4EGFR
SCHEMBL24791663 0.81 CYP2D6 (0.51) CYP2D6MAPTGSK3BMAPK9CYP11B1
SCHEMBL2559714 0.81 CYP2D6 (0.51) CYP2D6MAPTALDH1A1GSK3BMAP4K4
SCHEMBL30872067 0.81 CYP2D6 (0.51) CYP2D6MAPTGSK3BMAPK9CYP11B1
SCHEMBL29415422 0.80 CYP2D6 (0.55) CYP2D6NPC1MAPTSMN1; SMN2GSK3B
SCHEMBL13625499 0.80 CYP2D6 (0.51) CYP2D6MAPTGSK3BMAP4K4EGFR
SCHEMBL28848117 0.79 HRH3 (0.52) CYP2D6MAPTMAPK9CYP11B1CYP11B2
SCHEMBL13675153 0.79 IDO1 (0.50) CYP2D6GSK3BNISCHMAPK9
SCHEMBL1445174 0.78 CYP2D6 (0.76) CYP2D6RAB9ANPC1MAPTSMN1; SMN2

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
EP-3653621-A1 APPARATUS FOR SYNTHESIZING THE IMAGING AGENT 4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-[[4-[[2-(FLUORO-[18F])ETHOXY]METHYL]PHENYL]METHOXY]-3(2H)-PYRIDAZINONE (FLUORPIRIDAZ [18F]) Lantheus Medical Imaging, Inc. (US) 2020-05-20 EP disclosed
EP-2882719-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS IMAGING AGENTS FOR DETECTING MYOCARDIAL PERFUSION LANTHEUS MEDICAL IMAGING INC (US) 2019-10-09 EP disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 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-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 CYP2D6 61/4885METAP2 2409/4885RAB9A 94/4885

“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.