SCHEMBL2810409

SCHEMBL2810409

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.43
HTR2A P28223 3/20 0.42
CFTR P13569 1/20 0.40
CHRNA7 P36544 1/20 0.39
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR6 P50406 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
TP53 P04637 2/20 0.35
MEN1 O00255 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
SCHEMBL2809519 0.90 HTR6 (0.45) KMT2AALDH1A1HTTKDM4EGAA
SCHEMBL2808410 0.89 HTR2A (0.45) SRCHTR2ACFTRCHRNA7KMT2A
SCHEMBL2811683 0.88 PTGIR (0.40) ALDH1A1KDM4EGAALMNAHPGD
SCHEMBL2812073 0.86 DNMT3A (0.43) KMT2AALDH1A1HTTLMNAHPGD
SCHEMBL2809530 0.86 MAPT (0.44) SRCKMT2AALDH1A1HTTKDM4E
SCHEMBL2810429 0.85 KDM4E (0.44) ALDH1A1KDM4ETSHRSMN1; SMN2HTR6
SCHEMBL2815921 0.84 TSHR (0.42) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL2809765 0.83 POLB (0.49) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL2809447 0.82 TSHR (0.37) KMT2AKDM4ELMNATSHRHTR6
SCHEMBL2813977 0.81 HRH3 (0.44) KMT2AALDH1A1HTTKDM4EGAA

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 SRC 834/4885HTR2A 2863/4885CFTR 1118/4885

“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.