Sugi Predict

Sugi Predict / Compounds / SCHEMBL2813731

SCHEMBL2813731

SCHEMBL2813731

O[C@H](CNc1nc2c3c(n[nH]c3n1)CCN2Cc1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.40
▸ CTSK P43235 4/20 0.40
▸ CTSL P07711 3/20 0.40
▸ CTSB P07858 3/20 0.40
▸ CDK1 P06493 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ MAPK1 P28482 2/20 0.36
▸ HPGD P15428 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BRS3 P32247 3/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ STAT6 P42226 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2812993 0.89 CDK2 (0.39) CDK1KDM4EMAPK1HPGDALDH1A1
SCHEMBL2811941 0.86 CLPP (0.41) KDM4EALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL2812298 0.82 CLPP (0.38) KDM4EALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL537893 0.81 ALDH1A1 (0.40) KDM4EMAPK1ALDH1A1SMN1; SMN2BRS3
SCHEMBL2808279 0.81 BRS3 (0.41) KDM4EMAPK1HPGDALDH1A1KMT2A
SCHEMBL2814510 0.80 KDM4E (0.36) KDM4EALDH1A1KMT2ABRS3STAT6
SCHEMBL2810281 0.80 LTA4H (0.41) KDM4EMAPK1ALDH1A1STAT6
SCHEMBL2816633 0.80 LMNA (0.43) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL13131478 0.79 CLPP (0.39) KDM4EALDH1A1GAASMN1; SMN2LMNA
SCHEMBL2810352 0.79 BRS3 (0.40) KDM4EMAPK1HPGDALDH1A1KMT2A

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 CTSS 3247/4885CTSK 2037/4885CTSL 3321/4885

“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.