SCHEMBL2809602

SCHEMBL2809602

c1ccc(CN2CCc3n[nH]c4nc(N5CCN(c6ccccn6)CC5)nc2c34)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
HTR7 P34969 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
CASP5 P51878 1/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL2809641 0.92 ALDH1A1 (0.44) HTR7ALDH1A1KDM4ETSHRDRD4
SCHEMBL2809831 0.90 DRD4 (0.41) LMNANPC1RAB9AHTTALDH1A1
SCHEMBL2810576 0.89 ALDH1A1 (0.47) LMNAMAPTALDH1A1KDM4ETSHR
SCHEMBL2812360 0.87 DRD4 (0.43) LMNAMAPTHTTALDH1A1HPGD
SCHEMBL2811715 0.87 KCNH2 (0.41) LMNAMAPTNPC1HTTPOLB
SCHEMBL2809499 0.86 HTR6 (0.46) HTTALDH1A1KDM4E
SCHEMBL13146007 0.86 GAA (0.40) LMNAMAPTALDH1A1KDM4ETSHR
SCHEMBL2812038 0.86 BRS3 (0.44) HPGDTSHRCASP1CASP5HSD17B10
SCHEMBL2810794 0.85 GAA (0.45) LMNAMAPTHTTALDH1A1HPGD
SCHEMBL2816410 0.83 DRD4 (0.45) MAPTHTR7ALDH1A1KDM4EDRD4

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 LMNA 2815/4885MAPT 2947/4885NPC1 701/4885

“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.