SCHEMBL538333

SCHEMBL538333

O=C(NCC1CCCCC1)C1CN(Cc2ccccc2)c2nc(NCc3ccccc3)nc3c2C1NN3

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
NAPEPLD Q6IQ20 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CACNA1G O43497 3/20 0.36
CACNA1H O95180 3/20 0.36
CACNA1I Q9P0X4 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
VCP P55072 6/20 0.35
GRIN2B Q13224 1/20 0.34
EPHX1 P07099 1/20 0.34
PPM1D O15297 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL2815946 0.87 MC4R (0.44) CACNA1GCACNA1HCACNA1I
SCHEMBL2811933 0.86 CACNA1G (0.41) CACNA1GCACNA1HCACNA1I
SCHEMBL2814288 0.86 KMT2A (0.39) CACNA1GCACNA1HCACNA1IRAB9A
SCHEMBL538581 0.85 CACNA1G (0.39) CACNA1GCACNA1HCACNA1I
SCHEMBL2812037 0.84 KCNH2 (0.39) CACNA1GCACNA1HCACNA1I
SCHEMBL2812136 0.84 POLB (0.41) CACNA1GCACNA1HCACNA1I
SCHEMBL2811169 0.84 HPGD (0.38) NPSR1CACNA1GCACNA1HCACNA1I
SCHEMBL2813056 0.84 KMT2A (0.37) CACNA1GCACNA1HCACNA1INPC1RAB9A
SCHEMBL2812146 0.82 ALDH1A1 (0.40) CACNA1GCACNA1HCACNA1I
SCHEMBL537588 0.82 ALDH1A1 (0.45) NPC1RAB9A

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
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP claimed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO claimed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US 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 ENPP2 2545/4885NAPEPLD 1799/4885NPSR1 3656/4885

“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.