SCHEMBL2809955

SCHEMBL2809955

COc1ccc(CN2CCC3NN(C)c4nc(NCCc5cc(OC)cc(OC)c5)nc2c43)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
IGF1R P08069 1/20 0.35
PTGDR Q13258 1/20 0.35
TLR7 Q9NYK1 3/20 0.34
ALOX15 P16050 2/20 0.34
POLB P06746 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CYP3A4 P08684 2/20 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
SCHEMBL2814492 0.94 TSHR (0.37) MAPTLMNATSHRNPSR1MEN1
SCHEMBL2812459 0.92 HRH3 (0.39) MAPTLMNATSHRNPSR1MEN1
SCHEMBL2810452 0.91 NR1I3 (0.38) MAPTLMNATSHRNPSR1MEN1
SCHEMBL2809538 0.90 EHMT2 (0.41) MAPTLMNAMEN1GAAKMT2A
SCHEMBL2810912 0.89 ADORA3 (0.42) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL2812911 0.88 MAPT (0.38) MAPTLMNATSHRNPSR1MEN1
SCHEMBL2814367 0.87 OGA (0.41) MEN1KMT2APTGDRCYP3A4ALDH1A1
SCHEMBL2812798 0.84 ACHE (0.46) MEN1KMT2ATLR7EHMT2DNMT3A
SCHEMBL2809433 0.84 CXCR3 (0.38) MAPTMEN1KMT2ATLR7ALDH1A1
SCHEMBL2812157 0.84 SMN1; SMN2 (0.39) MAPK1SMN1; SMN2TDP1ALOX15CYP3A4

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 MAPT 2947/4885LMNA 2815/4885TSHR 3555/4885

“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.