Sugi Predict

Sugi Predict / Compounds / SCHEMBL2812141

SCHEMBL2812141

SCHEMBL2812141

O=C(NCc1ccccc1)C1CN(Cc2ccccc2)c2nc(NCc3ccco3)nc3[nH]nc1c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ TRPC5 Q9UL62 2/20 0.39
▸ TRPC4 Q9UBN4 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CACNA1G O43497 3/20 0.38
▸ CACNA1H O95180 3/20 0.38
▸ CACNA1I Q9P0X4 3/20 0.38
▸ USP2 O75604 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
SCHEMBL2811925 0.87 CACNA1G (0.42) ALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL2815942 0.85 MC4R (0.43) ALDH1A1POLBKDM4EGAACACNA1G
SCHEMBL2812129 0.85 P2RX7 (0.44) POLBLMNAKMT2AGAACACNA1G
SCHEMBL2812033 0.85 P2RX7 (0.42) KMT2AMEN1CACNA1GCACNA1HCACNA1I
SCHEMBL2814282 0.84 KMT2A (0.42) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL538580 0.84 CACNA1G (0.41) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL538332 0.83 CACNA1G (0.39) LMNAKMT2AGAAHTTNPSR1
SCHEMBL537587 0.83 ALDH1A1 (0.48) ALDH1A1POLBKDM4ELMNAKMT2A
SCHEMBL2811162 0.82 USP2 (0.39) ALDH1A1KDM4ERECQLNPSR1CACNA1G
SCHEMBL538002 0.82 KDM1A (0.41) NPSR1CACNA1GCACNA1HCACNA1I

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 ALDH1A1 924/4885POLB 345/4885KDM4E 2749/4885

“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.