SCHEMBL538002

SCHEMBL538002

CN(C)CCCNc1nc2c3c(n[nH]c3n1)C(C(=O)NCc1ccccc1)CN2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.41
EHMT2 Q96KQ7 3/20 0.41
NMT2 O60551 2/20 0.39
NMT1 P30419 2/20 0.39
CACNA1G O43497 7/20 0.38
CACNA1H O95180 7/20 0.38
CACNA1I Q9P0X4 7/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RCOR1 Q9UKL0 4/20 0.36

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
SCHEMBL2815942 0.86 MC4R (0.43) CACNA1GCACNA1HCACNA1I
SCHEMBL2811925 0.86 CACNA1G (0.42) CACNA1GCACNA1HCACNA1I
SCHEMBL538580 0.84 CACNA1G (0.41) CACNA1GCACNA1HCACNA1I
SCHEMBL2814282 0.84 KMT2A (0.42) CACNA1GCACNA1HCACNA1I
SCHEMBL2808450 0.84 MMP13 (0.41) CACNA1GCACNA1HCACNA1I
SCHEMBL2812033 0.83 P2RX7 (0.42) CACNA1GCACNA1HCACNA1I
SCHEMBL2812129 0.83 P2RX7 (0.44) CACNA1GCACNA1HCACNA1I
SCHEMBL2812141 0.82 ALDH1A1 (0.43) CACNA1GCACNA1HCACNA1INPSR1
SCHEMBL13131765 0.82 KMT2A (0.40) CACNA1GCACNA1HCACNA1I
SCHEMBL538332 0.82 CACNA1G (0.39) CACNA1GCACNA1HCACNA1INPSR1

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
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
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
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 KDM1A 3360/4885EHMT2 3441/4885NMT2 2021/4885

“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.