SCHEMBL2809526

SCHEMBL2809526

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(N5CCN(c6cnccn6)CC5)nc2c43)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
EHMT2 Q96KQ7 2/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 2/20 0.37
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
DNMT3A Q9Y6K1 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL2809447 0.89 TSHR (0.37) TSHRLMNAL3MBTL1KMT2AKDM4E
SCHEMBL2814408 0.87 HRH4 (0.43) EHMT2DNMT3ASIGMAR1NPC1RAB9A
SCHEMBL2809475 0.87 DNMT3A (0.47) TSHRLMNAKMT2AHTTALDH1A1
SCHEMBL2811753 0.86 EHMT2 (0.42) EHMT2KMT2AHTTDNMT3ASMN1; SMN2
SCHEMBL538223 0.84 MAPT (0.41) TSHRLMNAL3MBTL1KMT2AHTT
SCHEMBL2814820 0.84 DNMT3A (0.46) TSHRALDH1A1KDM4EDNMT3ASMN1; SMN2
SCHEMBL2808265 0.84 TSHR (0.43) TSHRLMNAKMT2AALDH1A1KDM4E
SCHEMBL2808410 0.83 HTR2A (0.45) TSHRLMNAKMT2AHTTALDH1A1
SCHEMBL2813884 0.80 HRH3 (0.44) KMT2AHTTALDH1A1KDM4EGAA
SCHEMBL2811710 0.80 TUBB4A (0.43) TSHRLMNAKMT2AALDH1A1KDM4E

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 TSHR 3555/4885EHMT2 3441/4885LMNA 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.