SCHEMBL1298796

SCHEMBL1298796

CCOC(=O)c1nc(Cl)n2c(Cl)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 2/20 0.41
TSHR P16473 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.38
ADORA2A P29274 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
SLC26A6 Q9BXS9 1/20 0.38
ADORA3 P0DMS8 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
SCHEMBL1299205 0.87 KMT2A (0.44) KMT2ACYP1A2TSHRCYP2C9CYP2C19
SCHEMBL1298563 0.77 MAPK1 (0.57) KMT2ACYP1A2TSHRCYP2C9CYP2C19
SCHEMBL21189606 0.73 KMT2A (0.44) KMT2ASMN1; SMN2KDM4EADORA2AADORA3
SCHEMBL29277998 0.71 KMT2A (0.51) KMT2ACYP1A2TSHRRAB9AKDM4E
SCHEMBL1298704 0.71 BAZ2B (0.40) KMT2ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL7863456 0.70 MAPK1 (0.59) KMT2ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL352579 0.70 CYP1A2 (0.54) KMT2ACYP1A2TSHRNPC1RAB9A
SCHEMBL15615316 0.70 KMT2A (0.48) KMT2ACYP1A2RAB9ASMN1; SMN2
SCHEMBL24388944 0.68 SMN1; SMN2 (0.58) KMT2ACYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL17619378 0.67 PDE4D (0.51) KMT2ACYP1A2SMN1; SMN2KDM4E

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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 KMT2A 854/4885CYP1A2 3032/4885TSHR 2445/4885

“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.