SCHEMBL13798686

SCHEMBL13798686

CSc1nc(Cl)c2c(C(=O)O)cn(C)c2n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 2/20 0.35
PPARG P37231 2/20 0.33
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL13798685 0.87 PIM1 (0.34) KMT2AMEN1KDM4EPPARG
SCHEMBL13798687 0.76 CYP1A2 (0.30) KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL1229639 0.73 SRC (0.36) KMT2AMEN1KDM4EKEAP1NFE2L2
SCHEMBL13798680 0.72 CYP1A2 (0.39) KMT2AKDM4EALDH1A1HPGDCYP1A2
SCHEMBL2226205 0.67 MEN1 (0.60) KMT2AMEN1KDM4EKEAP1NFE2L2
SCHEMBL282501 0.67 SMN1; SMN2 (0.47) KMT2AMEN1PPARGALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL10559938 0.66 MEN1 (0.58) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL22554085 0.66 KDM4C (0.40) KMT2AMEN1KDM4EALDH1A1CYP2C9
SCHEMBL21996593 0.64 CDK5 (0.39) KMT2AMEN1KDM4EPPARGKEAP1
SCHEMBL26979235 0.64 KMT2A (0.37) KMT2AMEN1KDM4EPPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors VERNALIS (R&D) LTD. (GB) 2009-06-25 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-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors HSP90AA1, HSP90AB1, RAF1 KMT2A 1962/4885MEN1 4350/4885KDM4E 3672/4885

“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.