SCHEMBL2614939

SCHEMBL2614939

Cc1cncc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.51
▸ KDM1A O60341 1/20 0.49
▸ CTSS P25774 2/20 0.49
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ GABRA1 P14867 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ GABRA3 P34903 1/20 0.47
▸ GABRA2 P47869 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP11B2 P19099 3/20 0.47

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
SCHEMBL2615262 0.82 CTSS (0.60) IDO1KDM1ACTSSKDM4EALDH1A1
SCHEMBL2609394 0.81 IDO1 (0.48) IDO1KDM1ACTSSPIK3CDPIK3CA
SCHEMBL2614930 0.80 CYP11B2 (0.48) IDO1CTSSCYP11B2CYP11B1CTSK
SCHEMBL20047742 0.78 IDO1 (0.50) IDO1KDM1AKDM4ECYP11B2CYP11B1
SCHEMBL30186359 0.76 CHEK1 (0.57) PIK3CAPIK3CGCYP1A2CYP3A4CYP11B2
SCHEMBL15888400 0.76 IDO1 (0.47) IDO1CYP11B2CYP11B1
SCHEMBL18758860 0.75 CYP2A6 (0.53) IDO1KDM1ACTSSCYP11B2CYP11B1
SCHEMBL19865072 0.74 KDM1A (0.62) IDO1KDM1ACTSSKDM4EALDH1A1
SCHEMBL2615360 0.74 KDM4E (0.56) IDO1KDM1ACTSSKDM4EALDH1A1
SCHEMBL2406368 0.74 IDO1 (0.54) IDO1KDM1ACTSSKDM4EALDH1A1

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 IDO1 468/4885KDM1A 1205/4885CTSS 2690/4885

“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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