SCHEMBL2809475

SCHEMBL2809475

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(N5CCN(c6ccccc6)CC5)nc2c43)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 5/20 0.47
TSHR P16473 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 2/20 0.38
GALR2 O43603 1/20 0.38
GALR1 P47211 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NTSR1 P30989 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2814820 0.95 DNMT3A (0.46) DNMT3ATSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL2814408 0.93 HRH4 (0.43) DNMT3ASIGMAR1
SCHEMBL538223 0.92 MAPT (0.41) DNMT3ATSHRKMT2AMEN1SMN1; SMN2
SCHEMBL2811753 0.92 EHMT2 (0.42) DNMT3AKMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL2812073 0.90 DNMT3A (0.43) DNMT3ATSHRKMT2ANPSR1MEN1
SCHEMBL2808265 0.90 TSHR (0.43) TSHRKMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL2808410 0.89 HTR2A (0.45) DNMT3ATSHRKMT2AMEN1SMN1; SMN2
SCHEMBL2809526 0.87 TSHR (0.40) DNMT3ATSHRKMT2ANPSR1MEN1
SCHEMBL2813884 0.86 HRH3 (0.44) KMT2ANPSR1MEN1HTTSIGMAR1
SCHEMBL2809936 0.85 ALDH1A1 (0.41) TSHRKMT2AMEN1SMN1; SMN2LMNA

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 DNMT3A 2966/4885TSHR 3555/4885KMT2A 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.