SCHEMBL2814282

SCHEMBL2814282

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.39
CACNA1G O43497 9/20 0.39
CACNA1H O95180 9/20 0.39
CACNA1I Q9P0X4 9/20 0.39
TRPA1 O75762 1/20 0.39
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
ESR1 P03372 2/20 0.36
EPHX2 P34913 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 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
SCHEMBL538580 0.88 CACNA1G (0.41) KMT2AALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL2815942 0.88 MC4R (0.43) ALDH1A1CACNA1GCACNA1HCACNA1IGAA
SCHEMBL2811925 0.88 CACNA1G (0.42) ALDH1A1CACNA1GCACNA1HCACNA1IP2RX7
SCHEMBL2812129 0.85 P2RX7 (0.44) KMT2ACACNA1GCACNA1HCACNA1ILMNA
SCHEMBL538332 0.85 CACNA1G (0.39) KMT2ACACNA1GCACNA1HCACNA1ILMNA
SCHEMBL2812033 0.85 P2RX7 (0.42) KMT2ACACNA1GCACNA1HCACNA1IMEN1
SCHEMBL538002 0.84 KDM1A (0.41) CACNA1GCACNA1HCACNA1I
SCHEMBL2812141 0.84 ALDH1A1 (0.43) KMT2AALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL13131765 0.84 KMT2A (0.40) KMT2ACACNA1GCACNA1HCACNA1IEPHX2
SCHEMBL2811162 0.82 USP2 (0.39) ALDH1A1CACNA1GCACNA1HCACNA1IEPHX2

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 7 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
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 KMT2A 2836/4885ALDH1A1 924/4885CACNA1G 4588/4885

“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.