SCHEMBL538223

SCHEMBL538223

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(N5CCOCC5)nc2c43)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CETP P11597 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DNMT3A Q9Y6K1 2/20 0.39
USP2 O75604 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE10A Q9Y233 1/20 0.38
PTGS2 P35354 1/20 0.38
PIK3CA P42336 1/20 0.38
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL2809475 0.92 DNMT3A (0.47) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL2811753 0.91 EHMT2 (0.42) SMN1; SMN2MEN1KMT2ADNMT3ASIGMAR1
SCHEMBL2814408 0.90 HRH4 (0.43) DNMT3ASIGMAR1HRH1
SCHEMBL2809530 0.87 MAPT (0.44) MAPTL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL2814820 0.87 DNMT3A (0.46) MAPTTSHRSMN1; SMN2DNMT3AALDH1A1
SCHEMBL2808265 0.87 TSHR (0.43) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL2808410 0.86 HTR2A (0.45) TSHRSMN1; SMN2MEN1KMT2ADNMT3A
SCHEMBL2812312 0.84 LMNA (0.45) MAPTSMN1; SMN2MEN1KMT2AUSP2
SCHEMBL2809526 0.84 TSHR (0.40) MAPTL3MBTL1TSHRSMN1; SMN2MEN1
SCHEMBL538466 0.83 SIGMAR1 (0.41) MAPTMEN1KMT2AALDH1A1SIGMAR1

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 4 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
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO 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 2947/4885L3MBTL1 4501/4885TSHR 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.