SCHEMBL2614972

SCHEMBL2614972

Cc1ccc(F)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.39
RAB9A P51151 3/20 0.38
MAPK13 O15264 3/20 0.38
GCGR P47871 3/20 0.38
MAPK12 P53778 3/20 0.38
MAPK11 Q15759 3/20 0.38
MAPK14 Q16539 3/20 0.38
NPC1 O15118 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL18652678 0.80 MAPK14 (0.46) LMNAMAPK13GCGRMAPK12MAPK11
SCHEMBL411487 0.79 KDM4E (0.44) APEX1ADORA2AADORA1L3MBTL1KDM4E
SCHEMBL13750538 0.78 PTGS2 (0.43) RAB9AMAPK14NPC1
SCHEMBL31521746 0.78 MAP2K4 (0.41) APEX1KDM4EMAPK1ALDH1A1
SCHEMBL2609344 0.76 CYP1A2 (0.44) APEX1ADORA2AADORA1L3MBTL1KDM4E
SCHEMBL21022103 0.74 ADORA2A (0.43) ADORA2AADORA1MAPK13GCGRMAPK12
SCHEMBL15832027 0.74 NOTUM (0.42) ADORA2AADORA1L3MBTL1KDM4EGAA
SCHEMBL15832006 0.74 ALDH1A1 (0.50) KDM4EGAALMNAMAPK1ALDH1A1
SCHEMBL4020732 0.73 PIK3CA (0.44) CYP1A2
SCHEMBL10511681 0.72 ADORA2A (0.46) ADORA2AADORA1L3MBTL1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 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-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 APEX1 4676/4885ADORA2A 205/4885ADORA1 118/4885

“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.