SCHEMBL2809446

SCHEMBL2809446

COc1ccc(CN2CCc3nn(C)c4nc(N5CCN(c6cnccn6)CC5)nc2c34)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 8/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
PDE10A Q9Y233 1/20 0.34
HTR6 P50406 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CFTR P13569 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
SCHEMBL2809524 0.88 ADORA2A (0.40) TSHRHSD17B10LMNAL3MBTL1USP2
SCHEMBL2809514 0.86 HTR6 (0.46) TSHRHSD17B10L3MBTL1USP2ALDH1A1
SCHEMBL2811678 0.84 CCNE2 (0.39) TSHRHSD17B10LMNAL3MBTL1ALDH1A1
SCHEMBL2812071 0.83 SMN1; SMN2 (0.43) TSHRHSD17B10LMNAL3MBTL1ALDH1A1
SCHEMBL2809527 0.83 MAPT (0.45) HSD17B10L3MBTL1USP2ALDH1A1CYP1A2
SCHEMBL2810400 0.82 CFTR (0.46) TSHRUSP2ALDH1A1KDM4EPKM
SCHEMBL2810425 0.81 SMN1; SMN2 (0.44) TSHRLMNAALDH1A1CASP1KDM4E
SCHEMBL2815919 0.81 TSHR (0.43) TSHRLMNAALDH1A1KDM4EPKM
SCHEMBL13145459 0.81 NPC1 (0.39) TSHRHSD17B10LMNAALDH1A1KDM4E
SCHEMBL13131604 0.78 TSHR (0.40) TSHRHSD17B10LMNAL3MBTL1ALDH1A1

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 TSHR 3555/4885HSD17B10 3435/4885LMNA 2815/4885

“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.