SCHEMBL6353344

SCHEMBL6353344

COc1cccc(-n2nc(C)c3c(N)c4cccc(C)c4nc32)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
PSMD14 O00487 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
RAD52 P43351 1/20 0.41
RAB9A P51151 1/20 0.41
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
PDPK1 O15530 1/20 0.35
HSP90AB1 P08238 1/20 0.34
RECQL P46063 1/20 0.33
AXL P30530 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL6353601 0.88 KDM4E (0.39) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6343129 0.86 CCNA2 (0.38) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6342088 0.81 MAPT (0.43) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL6342690 0.81 MAPT (0.43) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6341104 0.80 KDM4E (0.41) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6352110 0.78 KDM4E (0.41) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6344735 0.75 KDM4E (0.43) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL6351864 0.75 KIT (0.47) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6339835 0.75 KDM4E (0.37) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL18282661 0.68 LMNA (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB

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 MAPT 3408/4885ALDH1A1 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.