SCHEMBL10044795

SCHEMBL10044795

O=C(c1cccc(Br)n1)c1cccnc1Br

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 11/20 0.40
PRKCA P17252 2/20 0.40
PRKCD Q05655 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
GRM5 P41594 1/20 0.39
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
PSMD14 O00487 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
AGTR1 P30556 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL1481413 0.84 PRKCQ (0.56) PRKCQPRKCAPRKCD
SCHEMBL1831193 0.84 NAPRT (0.51) PRKCQPRKCAPRKCDALDH1A1HPGD
SCHEMBL960010 0.78 ALDH1A1 (0.51) ALDH1A1HPGDGRM5KDM4ETDP1
SCHEMBL13932169 0.77 KDM4E (0.50) ALDH1A1HPGDGRM5KDM4ETDP1
SCHEMBL4707275 0.73 AKR1C3 (0.52) ALDH1A1KDM4ETDP1MEN1NPC1
SCHEMBL10633322 0.72 CNR2 (0.61) NPC1
SCHEMBL932828 0.71 KDM4E (0.63) ALDH1A1KDM4ETDP1MEN1NPC1
SCHEMBL29442955 0.71 KDM4E (0.63) ALDH1A1KDM4ETDP1MEN1NPC1
SCHEMBL7531240 0.71 ALDH1A1 (0.49) ALDH1A1HPGDMEN1NPC1KMT2A
SCHEMBL10324079 0.71 GRM5 (0.40) ALDH1A1HPGDGRM5KDM4ETDP1

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-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 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-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PRKCQ 62/4885PRKCA 58/4885PRKCD 285/4885

“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.