Sugi Predict

Sugi Predict / Compounds / SCHEMBL2812233

SCHEMBL2812233

SCHEMBL2812233

O=C(C1CN(Cc2ccccc2)c2nc(NCc3ccccc3)nc3[nH]nc1c23)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ PIK3CB P42338 7/20 0.40
▸ LMNA P02545 3/20 0.39
▸ NAPEPLD Q6IQ20 1/20 0.39
▸ PIK3CA P42336 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPK10 P53779 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1H O95180 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
SCHEMBL2815942 0.80 MC4R (0.43) ALDH1A1GAAKDM4EHPGDCACNA1G
SCHEMBL2811925 0.80 CACNA1G (0.42) ALDH1A1HPGDCACNA1GCACNA1HCACNA1I
SCHEMBL538580 0.79 CACNA1G (0.41) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL2814282 0.79 KMT2A (0.42) LMNAALDH1A1GAASMN1; SMN2MEN1
SCHEMBL2812141 0.79 ALDH1A1 (0.43) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL2812033 0.78 P2RX7 (0.42) MEN1KMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL538332 0.78 CACNA1G (0.39) HTTLMNANAPEPLDGAASMN1; SMN2
SCHEMBL2812129 0.78 P2RX7 (0.44) LMNAGAAKMT2ACACNA1GCACNA1H
SCHEMBL2813052 0.77 KMT2A (0.40) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL13131765 0.77 KMT2A (0.40) SMN1; SMN2PKMTSHRKMT2ACACNA1G

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 7 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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 — — US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 — — US 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
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 — — 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 HTT 2797/4885PIK3CB 249/4885LMNA 2815/4885

“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.