SCHEMBL2811765

SCHEMBL2811765

c1ccc(CN2CCC3NNc4nc(NCc5ccco5)nc2c43)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 7/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
TRPC5 Q9UL62 4/20 0.41
TRPC4 Q9UBN4 2/20 0.41
KCNH3 Q9ULD8 1/20 0.40
ALDH1A1 P00352 8/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.38
PKM P14618 1/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL2811945 0.88 ACHE (0.38) LMNAKMT2AMEN1ALDH1A1HTT
SCHEMBL2812302 0.83 ACHE (0.37) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL2810284 0.82 OGA (0.40) PKM
SCHEMBL2814513 0.82 CXCR4 (0.37) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL2814798 0.81 SIGMAR1 (0.40) TSHR
SCHEMBL2812252 0.81 CSNK2A1 (0.36) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2809589 0.81 CSNK2A1 (0.36) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL537894 0.81 ALDH1A1 (0.38) LMNAKCNH3ALDH1A1KDM4EHTT
SCHEMBL537584 0.80 ACHE (0.45) L3MBTL1KMT2AMEN1MAPTNPSR1
SCHEMBL2816411 0.80 ACHE (0.47) LMNAKMT2AMEN1ALDH1A1MAPT

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 L3MBTL1 4501/4885LMNA 2815/4885KMT2A 2836/4885

“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.