SCHEMBL214766

SCHEMBL214766

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1ccc(OCc2ccncc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
MAPK14 Q16539 3/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
FLT1 P17948 3/20 0.39
KDR P35968 2/20 0.39
RAB9A P51151 3/20 0.38
LRRK2 Q5S007 1/20 0.38
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 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
SCHEMBL214029 0.92 MAPT (0.46) MAPTALDH1A1NPSR1SMN1; SMN2RAB9A
SCHEMBL214745 0.86 KMT2A (0.41) MAPTALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL213975 0.84 KMT2A (0.42) MAPTALDH1A1CYP1A2CYP2C19TDP1
SCHEMBL215860 0.82 MEN1 (0.38) MAPTALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL215228 0.82 SCN9A (0.44) MAPTALDH1A1SMN1; SMN2FLT1KDR
SCHEMBL215824 0.82 RAB9A (0.41) MAPTALDH1A1NPSR1CYP1A2SMN1; SMN2
SCHEMBL215161 0.80 KDM1A (0.39) KDM1ARCOR1TDP1SMN1; SMN2KDR
Hydrochloric Acid SCHEMBL215995 0.80 KDM1A (0.40) KDM1ARCOR1TDP1SMN1; SMN2KDR
SCHEMBL214574 0.78 RAB9A (0.41) MAPTALDH1A1HTTSMN1; SMN2FLT1
SCHEMBL214245 0.78 NPC1 (0.41) MAPK14MAPTALDH1A1SMN1; SMN2RAB9A

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
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 KDM1A 963/4885RCOR1 2799/4885MAPK14 343/4885

“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.