SCHEMBL164570

SCHEMBL164570

CCn1cc2c(O)nc(Sc3ccc(F)cc3)nc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 7/20 0.36
▸ ADORA2A P29274 7/20 0.36
▸ ADORA1 P30542 7/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ DHFR P00374 1/20 0.31
▸ TYMS P04818 1/20 0.31
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL174312 0.72 SRC (0.38) ADORA3ADORA2AADORA1MAPTLMNA
SCHEMBL162535 0.69 ADORA3 (0.36) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL31669638 0.65 MEN1 (0.50) MAPTLMNAALDH1A1NPSR1NPC1
SCHEMBL166205 0.65 TRPA1 (0.38) MAPTDHFRTYMSMEN1KMT2A
SCHEMBL2929455 0.64 MAPK14 (0.48) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL163472 0.61 SRC (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL2076246 0.61 ADORA3 (0.39) ADORA3ADORA2AADORA1ADORA2BL3MBTL1
SCHEMBL174249 0.60 ABL1 (0.40) ADORA3ADORA2AADORA1MAPTLMNA
SCHEMBL21191965 0.57 NPC1 (0.40) MAPTMAT2ANPC1RAB9ATP53
SCHEMBL31714631 0.57 ADORA2A (0.49) ADORA3ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 — — US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 — — EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 — — WO 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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 ADORA3 1302/4885ADORA2A 1933/4885ADORA1 3035/4885

“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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