SCHEMBL538332

SCHEMBL538332

O=C(NCC1CCCCC1)C1CN(Cc2ccccc2)c2nc(NCc3ccccc3)nc3[nH]nc1c23

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 6/20 0.39
CACNA1H O95180 6/20 0.39
CACNA1I Q9P0X4 6/20 0.39
NAPEPLD Q6IQ20 1/20 0.38
BRS3 P32247 1/20 0.37
ENPP2 Q13822 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
GRIN2B Q13224 1/20 0.35
EPHX1 P07099 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
SCHEMBL2811925 0.87 CACNA1G (0.42) CACNA1GCACNA1HCACNA1IHPGD
SCHEMBL2815942 0.87 MC4R (0.43) CACNA1GCACNA1HCACNA1INPC1RAB9A
SCHEMBL538580 0.85 CACNA1G (0.41) CACNA1GCACNA1HCACNA1ISMN1; SMN2KMT2A
SCHEMBL2814282 0.85 KMT2A (0.42) CACNA1GCACNA1HCACNA1IRAB9ALMNA
SCHEMBL2811162 0.85 USP2 (0.39) CACNA1GCACNA1HCACNA1INPSR1HPGD
SCHEMBL2812129 0.84 P2RX7 (0.44) CACNA1GCACNA1HCACNA1ILMNAKMT2A
SCHEMBL2812033 0.84 P2RX7 (0.42) CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL2813052 0.83 KMT2A (0.40) CACNA1GCACNA1HCACNA1IBRS3NPC1
SCHEMBL2812141 0.83 ALDH1A1 (0.43) CACNA1GCACNA1HCACNA1INPSR1LMNA
SCHEMBL13131765 0.83 KMT2A (0.40) CACNA1GCACNA1HCACNA1INPC1RAB9A

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 9 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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US 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
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 CACNA1G 4588/4885CACNA1H 4714/4885CACNA1I 4255/4885

“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.