SCHEMBL8250899

SCHEMBL8250899

Fc1cc2c(cc1N1CCNCC1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPT P10636 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ OPRL1 P41146 2/20 0.43
▸ ADRB1 P08588 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CASP9 P55211 1/20 0.39
▸ BAX Q07812 1/20 0.39
▸ HTR1A P08908 1/20 0.39

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
SCHEMBL6582872 0.79 ALDH1A1 (0.56) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL21812036 0.78 DRD2 (0.48) ALDH1A1LMNAADRB1CYP1A2CYP3A4
SCHEMBL31342027 0.76 ALDH1A1 (0.50) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL28943954 0.76 MAPT (0.45) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL23923858 0.75 ALDH1A1 (0.40) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL8070794 0.74 ALDH1A1 (0.51) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL10329748 0.74 ADRB1 (0.52) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL8250693 0.73 ADRB1 (0.44) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL20521441 0.73 ALDH1A1 (0.50) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL20668601 0.73 ADRB1 (0.50) ALDH1A1MAPTLMNAGAASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622912-B1 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO- [4,3-E ] -1,2,4-TRIAZOLO- [1,5-C] -PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-05-27 — — EP disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 — — US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 — — US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 — — US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 — — 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 ALDH1A1 591/4885MAPT 2814/4885LMNA 4065/4885

“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.

Send feedback