SCHEMBL2814730

SCHEMBL2814730

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(NCCCN5CCCC5=O)nc2c43)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
RCE1 Q9Y256 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM1A O60341 2/20 0.40
EHMT2 Q96KQ7 2/20 0.40
RCOR1 Q9UKL0 2/20 0.40
NPC1 O15118 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
SCHEMBL2809488 0.90 TYRO3 (0.46) TYRO3SMN1; SMN2RCE1ALDH1A1MAPT
SCHEMBL2814452 0.85 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL2808272 0.84 ACHE (0.46) KMT2AEHMT2
SCHEMBL2810354 0.83 MAPT (0.39) SMN1; SMN2ALDH1A1MAPTGAAKMT2A
SCHEMBL2814240 0.83 ACHE (0.39) ALDH1A1MAPTKDM4EKMT2AKDM1A
SCHEMBL2813907 0.82 HDAC3 (0.41) SMN1; SMN2ALDH1A1KMT2AEHMT2
SCHEMBL2812911 0.82 MAPT (0.38) SMN1; SMN2ALDH1A1MAPTGAAKDM4E
SCHEMBL2812219 0.82 MAPT (0.42) SMN1; SMN2ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL2812312 0.82 LMNA (0.45) SMN1; SMN2MAPTHSD17B10CYP1A2CYP3A4
SCHEMBL2816710 0.81 EHMT2 (0.43) SMN1; SMN2ALDH1A1MAPTGAACYP1A2

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 2 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-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 TYRO3 1572/4885SMN1; SMN2 2524/4885RCE1 1098/4885

“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.