SCHEMBL2128105

SCHEMBL2128105

COc1c(/C=C/c2ccncc2)cc(Br)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A1 P04798 3/20 0.45
CYP1B1 Q16678 3/20 0.45
CYP1A2 P05177 2/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 2/20 0.43
NPC1 O15118 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PRKACA P17612 1/20 0.41
ROCK1 Q13464 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL1543245 1.00 MAPT (0.47) MAPTKDM4EHSD17B10CYP1A1CYP1B1
SCHEMBL1543243 1.00 MAPT (0.47) MAPTKDM4EHSD17B10CYP1A1CYP1B1
SCHEMBL3178153 0.84 CYP19A1 (0.52) CYP1A1CYP1B1CYP3A4TUBB4ATUBB
SCHEMBL3178148 0.79 TNFRSF1A (0.46) KDM4ECYP1A1CYP1B1CYP3A4TUBB4A
SCHEMBL3178151 0.79 TNFRSF1A (0.46) KDM4ECYP1A1CYP1B1CYP3A4TUBB4A
SCHEMBL2618843 0.79 PTGS2 (0.54) MAPTCYP3A4NPC1RAB9AALDH1A1
SCHEMBL6765973 0.77 CYP3A4 (0.62) MAPTSMN1; SMN2CYP3A4ALDH1A1LMNA
SCHEMBL12597542 0.76 TUBB1 (0.44) CYP1A1CYP1B1CYP3A4TUBB4ATUBB
SCHEMBL2618830 0.76 MEN1 (0.33) MAPTCYP1A1CYP1B1SMN1; SMN2CYP3A4
SCHEMBL6765804 0.75 MEN1 (0.40) MAPTCYP3A4TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B MAPT 4356/4885KDM4E 1962/4885HSD17B10 1679/4885

“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.