Sugi Predict

Sugi Predict / Compounds / SCHEMBL537709

SCHEMBL537709

SCHEMBL537709

COc1ccc(CN2CCC(C(=O)O)c3n[nH]c4nc(SC)nc2c34)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ FAAH O00519 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ATM Q13315 1/20 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
SCHEMBL537601 0.90 POLB (0.40) SMN1; SMN2MMP1MMP13ALDH1A1CYP1A2
SCHEMBL2833697 0.81 CACNA1G (0.39) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL537857 0.78 GAA (0.42) SMN1; SMN2MMP1MMP13ALDH1A1SIGMAR1
SCHEMBL537755 0.77 KDM4E (0.39) SMN1; SMN2ALDH1A1SIGMAR1KDM4ELMNA
SCHEMBL538740 0.74 CACNA1G (0.38) ALDH1A1LMNATSHRHSD17B10
SCHEMBL538550 0.74 CACNA1I (0.44) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL538466 0.70 SIGMAR1 (0.41) ALDH1A1SIGMAR1KDM4ELMNA
SCHEMBL537664 0.69 PTGIR (0.39) SMN1; SMN2MMP1MMP13ALDH1A1SIGMAR1
SCHEMBL537858 0.69 PTGIR (0.39) SMN1; SMN2MMP1MMP13ALDH1A1CYP1A2
SCHEMBL537883 0.68 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CYP1A2KDM4ERAB9A

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
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
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

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 SMN1; SMN2 2524/4885MMP1 4717/4885MMP13 4525/4885

“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.