SCHEMBL17013486

SCHEMBL17013486

CCOC(=O)c1cnc(SC)nc1NCc1cnc(CO)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.59
▸ SYK P43405 2/20 0.50
▸ HTT P42858 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ MAPT P10636 6/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ FOS P01100 1/20 0.48
▸ JUN P05412 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ POLB P06746 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL16816475 0.89 ALDH1A1 (0.60) ALDH1A1SYKHTTMAPK1MAPT
SCHEMBL17013488 0.87 HTT (0.44) ALDH1A1HTTMAPTLMNAKMT2A
SCHEMBL28415492 0.86 ALDH1A1 (0.61) ALDH1A1SYKHTTMAPK1MAPT
SCHEMBL17013474 0.86 ALDH1A1 (0.56) ALDH1A1SYKHTTMAPK1MAPT
SCHEMBL1679801 0.84 PDE5A (0.59) ALDH1A1SYKHTTMAPK1MAPT
SCHEMBL31694381 0.84 PDE5A (0.59) ALDH1A1SYKHTTMAPK1MAPT
SCHEMBL29972749 0.84 PDE5A (0.59) ALDH1A1SYKHTTMAPK1MAPT
SCHEMBL16816549 0.83 ALDH1A1 (0.57) ALDH1A1SYKHTTMAPK1MAPT
SCHEMBL16815886 0.81 ALDH1A1 (0.55) ALDH1A1SYKHTTMAPK1MAPT
SCHEMBL17013489 0.80 PDE5A (0.55) HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359371-B2 Bicyclic substituted pyrimidine compounds Xuanzhu Pharma Co., Ltd. (CN) 2016-06-07 — — US disclosed
US-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2015-08-20 — — 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-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds DPYD, UMPS, TYMP ALDH1A1 912/4885SYK 2155/4885HTT 2667/4885

“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.

Send feedback