SCHEMBL2812459

SCHEMBL2812459

COc1ccc(CN2CCC3NN(C)c4nc(NCCc5cccc(OC)c5)nc2c43)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
TYRO3 Q06418 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MLNR O43193 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL2809955 0.92 MAPT (0.37) TYRO3MEN1KMT2ATP53MAPT
SCHEMBL2814492 0.92 TSHR (0.37) HRH3TYRO3MEN1KMT2ATP53
SCHEMBL2810354 0.90 MAPT (0.39) MEN1KMT2ATP53MAPTLMNA
SCHEMBL2810452 0.90 NR1I3 (0.38) MEN1KMT2ATP53MAPTLMNA
SCHEMBL2814367 0.88 OGA (0.41) MEN1KMT2A
SCHEMBL2810912 0.88 ADORA3 (0.42) MEN1KMT2AMAPTSMN1; SMN2ADORA3
SCHEMBL2809538 0.88 EHMT2 (0.41) HRH3MEN1KMT2ATP53MAPT
SCHEMBL2812798 0.86 ACHE (0.46) MEN1KMT2ASIGMAR1
SCHEMBL2809433 0.85 CXCR3 (0.38) HRH3MEN1KMT2AMAPTSIGMAR1
SCHEMBL2812032 0.85 PDE5A (0.38) MEN1KMT2ATP53MAPTLMNA

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 HRH3 2573/4885TYRO3 1572/4885MEN1 1767/4885

“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.