SCHEMBL2813447

SCHEMBL2813447

COc1ccc(CN2CCC3NNc4nc(Nc5ccccc5)nc2c43)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
MERTK Q12866 3/20 0.40
KCNH3 Q9ULD8 2/20 0.40

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
SCHEMBL537584 0.89 ACHE (0.45) MAPTKMT2AMEN1NPSR1ACP1
SCHEMBL2813939 0.88 PRKAA2 (0.39) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL2811978 0.87 JAK2 (0.45) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL2813941 0.86 ADORA3 (0.41) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2810273 0.86 ADORA3 (0.41) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2812056 0.85 CXCR3 (0.37) MAPTKMT2AMEN1ALDH1A1KCNH3
SCHEMBL2812076 0.85 ACHE (0.38) KMT2AMEN1POLBSIGMAR1ACHE
SCHEMBL2813810 0.84 CXCR4 (0.45) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL537754 0.84 SMN1; SMN2 (0.40) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL2812933 0.83 CLK4 (0.41) MAPTKMT2ALMNAMEN1ALDH1A1

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 MAPT 2947/4885KMT2A 2836/4885LMNA 2815/4885

“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.