SCHEMBL14613381

SCHEMBL14613381

Cc1cnn2c(NCCCCNS(=O)(=O)c3cc(O)cc(O)c3)cc(-c3ccccc3O)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ CDK2 P24941 7/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ HTR6 P50406 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCNA1 P78396 1/20 0.33

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
SCHEMBL14607254 0.93 RAF1 (0.37) GSK3BKDM4ENPC1RAB9AMAPT
SCHEMBL14607255 0.91 GSK3B (0.37) GSK3BKDM4ENPC1RAB9AMAPT
SCHEMBL12954486 0.91 BRAF (0.38) GSK3BKDM4ENPC1RAB9AMAPT
SCHEMBL14418710 0.79 MEN1 (0.39) GSK3BKDM4ENPC1RAB9AMAPT
SCHEMBL13289008 0.79 GSK3B (0.47) GSK3BKDM4EMAPTCDK2KMT2A
SCHEMBL14043342 0.79 MARS1 (0.40) GSK3BKDM4ENPC1RAB9AMAPT
SCHEMBL14545978 0.78 GSK3B (0.47) GSK3BNPC1RAB9ACDK2MEN1
SCHEMBL14581371 0.78 GSK3B (0.46) GSK3BNPC1RAB9AMAPTCDK2
SCHEMBL13289271 0.77 MMP2 (0.44) GSK3BMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL14607070 0.77 DRD2 (0.43) KDM4ENPC1RAB9AMAPTMAPK1

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-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 — — 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-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A GSK3B 937/4885KDM4E 462/4885NPC1 3456/4885

“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.

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