SCHEMBL14613374

SCHEMBL14613374

Bc1cnn2c(NCCCCNC(=O)c3ccccc3Cc3ccccc3)cc(-c3ccccc3O)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 5/20 0.40
▸ OPRL1 P41146 1/20 0.38
▸ GSK3B P49841 3/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 4/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NLRP1 Q9C000 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ HKDC1 Q2TB90 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ SNCA P37840 1/20 0.35

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
SCHEMBL12954464 0.95 GSK3B (0.39) SLC6A5GSK3BALDH1A1HPGDTSHR
SCHEMBL14613407 0.89 PPARG (0.45) OPRL1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL14051094 0.87 PPARG (0.45) OPRL1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL14613406 0.85 PPARG (0.43) ALDH1A1HPGD
SCHEMBL14613272 0.85 GSK3B (0.42) GSK3B
SCHEMBL14418769 0.84 ALDH1A1 (0.45) GSK3BALDH1A1TSHRNPC1SMN1; SMN2
SCHEMBL14613372 0.83 HDAC1 (0.41) GSK3BALDH1A1NPC1SMN1; SMN2
SCHEMBL14418846 0.82 KISS1R (0.37) GSK3BALDH1A1HPGDMAPTKDM4E
SCHEMBL13120193 0.82 CDK2 (0.56) GSK3BMAPTLMNATP53
SCHEMBL14418772 0.81 KISS1R (0.44) ALDH1A1HPGDTSHRMAPTNPC1

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 SLC6A5 4730/4885OPRL1 4635/4885GSK3B 937/4885

“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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