SCHEMBL538741

SCHEMBL538741

CCOC(=O)C1CN(Cc2ccccc2)c2nc(SC)nc3c2C1NN3

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 1/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.34
TRPC5 Q9UL62 1/20 0.33
BRD4 O60885 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
SCHEMBL2833701 0.89 PPARG (0.37) ALDH1A1CACNA1GCACNA1HCACNA1IBRD4
SCHEMBL537550 0.72 MEN1 (0.38) ALDH1A1HSD17B10CACNA1GCACNA1HCACNA1I
SCHEMBL538740 0.72 CACNA1G (0.38) USP30ALDH1A1HSD17B10CACNA1GCACNA1H
SCHEMBL537834 0.72 KDM4E (0.33) ALDH1A1HPGDLMNA
SCHEMBL3528616 0.70 SLC6A2 (0.41) USP30ALDH1A1HSD17B10HPGDTSHR
SCHEMBL537471 0.70 MEN1 (0.36) USP30ALDH1A1HSD17B10CACNA1GCACNA1H
SCHEMBL538581 0.70 CACNA1G (0.39) ALDH1A1CACNA1GCACNA1HCACNA1ILMNA
SCHEMBL2814288 0.69 KMT2A (0.39) ALDH1A1CACNA1GCACNA1HCACNA1ILMNA
SCHEMBL2815946 0.68 MC4R (0.44) CACNA1GCACNA1HCACNA1I
SCHEMBL2812037 0.67 KCNH2 (0.39) CACNA1GCACNA1HCACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 USP30 4623/4885ALDH1A1 924/4885HSD17B10 3435/4885

“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.