SCHEMBL2814823

SCHEMBL2814823

c1ccc(CN2CCc3n[nH]c4nc(N5CCN6CCCC6C5)nc2c34)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.40
ACHE P22303 1/20 0.38
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
BTK Q06187 1/20 0.34
BRS3 P32247 3/20 0.34
MAPK1 P28482 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CASP1 P29466 2/20 0.33
GAA P10253 2/20 0.33
CASP5 P51878 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2812038 0.82 BRS3 (0.44) BRS3CASP1GAACASP5GLA
SCHEMBL2812360 0.81 DRD4 (0.43) MAPK1CASP1GAACASP5KDM4E
SCHEMBL2809641 0.81 ALDH1A1 (0.44) ACHEGAAKDM4EALDH1A1KMT2A
SCHEMBL2809499 0.81 HTR6 (0.46) HRH4ACHEBRS3GAAKDM4E
SCHEMBL2814046 0.80 TSHR (0.47) ALDH1A1KMT2A
SCHEMBL2809656 0.79 PIK3R1 (0.39) BRS3MAPK1KDM4EALDH1A1KMT2A
SCHEMBL13131430 0.78 CASP1 (0.44) ACHEBRS3CASP1GAACASP5
SCHEMBL2810794 0.78 GAA (0.45) ACHEMAPK1CASP1GAACASP5
SCHEMBL2810536 0.78 HTR2A (0.48) ACHECASP1GAAKDM4EALDH1A1
SCHEMBL2809602 0.77 LMNA (0.43) CASP1CASP5KDM4EALDH1A1HPGD

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 HRH4 1891/4885ACHE 4402/4885MAPK13 2110/4885

“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.