SCHEMBL8226298

SCHEMBL8226298

Cc1cc(-c2ccc(F)c(C(C)C)c2)on1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SHMT2 P34897 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ CSF1R P07333 1/20 0.39
▸ TP53 P04637 2/20 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
SCHEMBL8418311 0.81 CYP1A2 (0.46) CYP1A2CYP19A1CYP2C9CYP2C19MEN1
SCHEMBL12021736 0.79 CYP1A2 (0.44) CYP1A2CYP19A1CYP2C9CYP2C19MEN1
SCHEMBL8281358 0.79 CYP2C9 (0.44) CYP1A2CYP19A1CYP2C9CYP2C19NPC1
SCHEMBL25092416 0.77 TRPA1 (0.49) CYP1A2CYP19A1CYP2C9CYP2C19NPC1
SCHEMBL2272084 0.75 CYP1A2 (0.54) CYP1A2CYP19A1CYP2C9CYP2C19NPC1
SCHEMBL8221319 0.75 L3MBTL1 (0.54) NPC1MEN1KMT2ARAB9AGRIN1
SCHEMBL8221285 0.73 CA12 (0.47) MAPTGRIN1GRIN2BTP53
SCHEMBL18852461 0.72 BRD4 (0.43) CYP1A2CYP19A1CYP2C9CYP2C19NPC1
SCHEMBL12447345 0.72 TRPA1 (0.39) CYP1A2CYP2C19MAPT
SCHEMBL7904001 0.72 MAPT (0.64) CYP1A2CYP19A1CYP2C9CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 — — US disclosed
US-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 — — US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 — — US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 — — 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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 CYP1A2 1211/4885CYP19A1 4475/4885CYP2C9 2677/4885

“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.

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