SCHEMBL2808405

SCHEMBL2808405

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(N5CCN(CCO)CC5)nc2c34)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.49
HTR2A P28223 4/20 0.46
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
NTSR1 P30989 1/20 0.40
MAPT P10636 1/20 0.39
CHRNA7 P36544 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL2814404 0.90 HRH4 (0.44) ALDH1A1KDM4ETSHRMEN1USP2
SCHEMBL2810400 0.89 CFTR (0.46) CFTRHTR2AALDH1A1KDM4ETDP1
SCHEMBL2809473 0.89 TSHR (0.42) ALDH1A1KDM4ETDP1HPGDTSHR
SCHEMBL2811750 0.88 HTT (0.47) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL538222 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTSHRMEN1
SCHEMBL2809932 0.86 ALDH1A1 (0.42) CFTRALDH1A1KDM4ETDP1TSHR
SCHEMBL2808261 0.85 TSHR (0.45) HTR2AALDH1A1KDM4ETSHRMEN1
SCHEMBL2814817 0.85 KDM4E (0.42) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL2813116 0.83 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1HPGDTSHR
SCHEMBL2809524 0.83 ADORA2A (0.40) CFTRALDH1A1KDM4EHPGDTSHR

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 6 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
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 CFTR 1118/4885HTR2A 2863/4885ALDH1A1 924/4885

“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.