SCHEMBL397005

SCHEMBL397005

Cc1n[nH]nc1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
MBNL1 Q9NR56 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
HTR7 P34969 2/20 0.41
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
ALOX15 P16050 1/20 0.39
NOTUM Q6P988 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
METAP2 P50579 1/20 0.38
KDM4E B2RXH2 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ADORA2A P29274 1/20 0.38
POLB P06746 1/20 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
SCHEMBL11625109 0.72 MBNL1 (0.47) IDO1MBNL1DCUN1D1TDP1HTR7
SCHEMBL10166458 0.71 ALOX15 (0.70) IDO1TDP1ALOX15GAAKDM4E
SCHEMBL26242507 0.69 MBNL1 (0.45) MBNL1NOTUMGAAKDM4EADORA2A
SCHEMBL27993150 0.69 MBNL1 (0.62) MBNL1TDP1GAAKDM4EADORA2A
SCHEMBL9099313 0.69 HSP90AA1 (0.47) IDO1MBNL1DCUN1D1TDP1HTR7
SCHEMBL31468297 0.69 HTR7 (0.44) IDO1MBNL1DCUN1D1TDP1HTR7
SCHEMBL8360336 0.68 MBNL1 (0.44) MBNL1TDP1KDM4EADORA2AMAPT
SCHEMBL3769258 0.67 PIM1 (0.42) MBNL1DCUN1D1HTR7
SCHEMBL1701438 0.66 HTR7 (0.41) IDO1MBNL1DCUN1D1TDP1HTR7
SCHEMBL17942654 0.66 ADORA2A (0.53) MBNL1GAAKDM4EADORA2AHPGD

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-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 IDO1 2868/4885MBNL1 3021/4885DCUN1D1 3027/4885

“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.