SCHEMBL8250890

SCHEMBL8250890

CC(=O)N(C)c1ccc(N2CCNCC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
MAPKAPK2 P49137 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HPGD P15428 5/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
CCNT1 O60563 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
BRD4 O60885 1/20 0.38
HTT P42858 1/20 0.38
CYP2J2 P51589 1/20 0.38

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
SCHEMBL8257624 0.83 L3MBTL1 (0.41) MAPTMAPKAPK2ALDH1A1HPGDTSHR
SCHEMBL8257392 0.83 L3MBTL1 (0.46) MAPTALDH1A1HPGDTSHRKMT2A
SCHEMBL16510420 0.83 ALDH1A1 (0.42) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL3246144 0.80 MAPKAPK2 (0.53) MAPKAPK2ALDH1A1TSHRLMNAKDM4E
SCHEMBL8251028 0.78 LMNA (0.42) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL8259601 0.78 RORC (0.42) MAPTMAPKAPK2ALDH1A1HPGDTSHR
SCHEMBL8259458 0.78 L3MBTL1 (0.49) MAPTALDH1A1HPGDTSHRKMT2A
SCHEMBL3921035 0.77 ALDH1A1 (0.60) MAPTALDH1A1HPGDTSHRKMT2A
Piperazine SCHEMBL4934731 0.76 ALDH1A1 (0.59) MAPTALDH1A1HPGDTSHRKMT2A
Acetic Acid SCHEMBL27908172 0.75 MAPT (0.55) MAPTMAPKAPK2ALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 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-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 MAPT 2814/4885MAPKAPK2 2250/4885ALDH1A1 591/4885

“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.