SCHEMBL6340224

SCHEMBL6340224

CCOC(=O)c1cnc2c(c(C)nn2-c2ccccn2)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 3/20 0.62
MAPT P10636 3/20 0.62
HPGD P15428 2/20 0.62
GAA P10253 1/20 0.62
HTT P42858 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
USP2 O75604 1/20 0.60
TSHR P16473 1/20 0.60
NR3C1 P04150 13/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.55
TP53 P04637 1/20 0.55
RAB9A P51151 1/20 0.55
GPR55 Q9Y2T6 1/20 0.47

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
SCHEMBL6351596 0.88 ALDH1A1 (0.63) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL6344156 0.87 ALDH1A1 (0.62) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL6293242 0.86 NR3C1 (0.74) KMT2ANR3C1
SCHEMBL6343499 0.83 SPR (0.55) NR3C1
SCHEMBL20418851 0.81 NR3C1 (0.66) KMT2AALDH1A1KDM4EHPGDNR3C1
SCHEMBL20418859 0.81 KMT2A (0.66) KMT2ANR3C1
SCHEMBL21874481 0.81 KMT2A (0.62) KMT2AALDH1A1NR3C1LMNASMN1; SMN2
SCHEMBL21874526 0.80 KMT2A (0.67) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL31490800 0.80 KMT2A (0.67) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL20418829 0.80 NR3C1 (0.64) KMT2ANR3C1

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-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP 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-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 KMT2A 3347/4885ALDH1A1 1061/4885KDM4E 1741/4885

“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.