SCHEMBL2813892

SCHEMBL2813892

COc1cc2c(cc1OC)CN(c1nc3c4c(n1)N(Cc1ccccc1)CCC4NN3)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.45
KMT2A Q03164 3/20 0.40
REV1 Q9UBZ9 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
RAD52 P43351 1/20 0.39
CHRNA7 P36544 2/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 3/20 0.38
EHMT2 Q96KQ7 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NSD2 O96028 1/20 0.37
EZH2 Q15910 1/20 0.37
NSD3 Q9BZ95 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2813990 0.88 KDM4E (0.38) KMT2AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL2813108 0.82 NTSR1 (0.43) MAPK1
SCHEMBL2809502 0.81 HTR6 (0.41) ALDH1A1NPC1EHMT2HTTNSD2
SCHEMBL2810498 0.79 DNMT3A (0.44) KMT2AALDH1A1GAANPC1MAPT
SCHEMBL2812041 0.79 CASP1 (0.40) KMT2AALDH1A1GAAEHMT2HTT
SCHEMBL2812017 0.79 EHMT2 (0.38) ALDH1A1NPC1EHMT2LMNAHTT
SCHEMBL2809639 0.78 SIGMAR1 (0.48) KMT2AALDH1A1GAALMNAHTT
SCHEMBL2814053 0.78 SIGMAR1 (0.48) KMT2AALDH1A1GAALMNAHTT
SCHEMBL2812365 0.78 DRD4 (0.39) ALDH1A1GAAMAPTHTTSMN1; SMN2
SCHEMBL2809650 0.77 ALDH1A1 (0.40) KMT2AALDH1A1MAPTLMNAMEN1

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 ADAMTS4 3169/4885KMT2A 2836/4885REV1 183/4885

“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.