SCHEMBL2809488

SCHEMBL2809488

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PGK1 P00558 1/20 0.40
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
RCE1 Q9Y256 1/20 0.39
ALOX15 P16050 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
SCHEMBL2814730 0.90 TYRO3 (0.44) TYRO3SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL2814492 0.84 TSHR (0.37) TYRO3SMN1; SMN2ALDH1A1MAPTCYP1A2
SCHEMBL2812157 0.82 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4ECYP3A4CYP2C19
SCHEMBL2809955 0.81 MAPT (0.37) TYRO3SMN1; SMN2ALDH1A1MAPTCYP3A4
SCHEMBL2812459 0.81 HRH3 (0.39) TYRO3SMN1; SMN2MAPTGAAKMT2A
SCHEMBL2809538 0.81 EHMT2 (0.41) SMN1; SMN2ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL2811744 0.81 ACHE (0.38) KMT2A
SCHEMBL2812798 0.80 ACHE (0.46) KMT2A
SCHEMBL2809433 0.80 CXCR3 (0.38) ALDH1A1MAPTKDM4EKMT2A
SCHEMBL2809870 0.80 PIK3CA (0.46) SMN1; SMN2ALDH1A1MAPTKDM4EHPGD

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 2524/4885ALDH1A1 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.