SCHEMBL2809447

SCHEMBL2809447

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 8/20 0.36
TP53 P04637 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HTR6 P50406 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL2809526 0.89 TSHR (0.40) TSHRLMNAL3MBTL1KMT2AMEN1
SCHEMBL2809519 0.86 HTR6 (0.45) TSHRL3MBTL1KMT2AMEN1KDM4E
SCHEMBL2811683 0.85 PTGIR (0.40) TSHRLMNAHRH3KDM4EHTR6
SCHEMBL2812073 0.83 DNMT3A (0.43) TSHRLMNAL3MBTL1KMT2AMEN1
SCHEMBL2809530 0.83 MAPT (0.44) L3MBTL1KMT2AMEN1KDM4E
SCHEMBL2810409 0.82 SRC (0.43) TSHRLMNATP53KMT2AMEN1
SCHEMBL2810429 0.82 KDM4E (0.44) TSHRKDM4EHTR6
SCHEMBL2815921 0.81 TSHR (0.42) TSHRLMNATP53KMT2AMEN1
SCHEMBL2813977 0.79 HRH3 (0.44) HRH3KMT2AMEN1KDM4E
SCHEMBL2809765 0.77 POLB (0.49) LMNAKMT2AMEN1KDM4E

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 3555/4885LMNA 2815/4885L3MBTL1 4501/4885

“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.