SCHEMBL2614930

SCHEMBL2614930

Cc1cncc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.48
CYP11B1 P15538 3/20 0.48
KIF11 P52732 3/20 0.47
PIM1 P11309 2/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
RAD51 Q06609 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
PARP1 P09874 1/20 0.39
LTA4H P09960 1/20 0.39
PIM3 Q86V86 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 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
SCHEMBL2614939 0.80 IDO1 (0.51) CYP11B2CYP11B1PIM1IDO1PIM3
SCHEMBL10165308 0.79 CYP11B2 (0.55) CYP11B2CYP11B1IDO1TDO2
SCHEMBL18850044 0.79 CYP11B1 (0.50) CYP11B2CYP11B1LMNA
SCHEMBL17463142 0.79 CYP11B1 (0.46) CYP11B2CYP11B1IDO1LMNA
SCHEMBL5646784 0.79 KIF11 (0.47) CYP11B2CYP11B1KIF11PIM1PARP1
SCHEMBL21682820 0.79 PIM1 (0.61) CYP11B2CYP11B1KIF11PIM1PARP1
SCHEMBL4439117 0.79 CYP11B2 (0.60) CYP11B2CYP11B1KIF11PIM1PARP1
SCHEMBL2609389 0.78 KIF11 (0.43) CYP11B2CYP11B1KIF11PIM1IDO1
SCHEMBL2615265 0.76 CCR1 (0.54) KIF11
SCHEMBL23602043 0.76 SIGMAR1 (0.43) CYP11B2CYP11B1

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
EP-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed
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 CYP11B2 172/4885CYP11B1 189/4885KIF11 3660/4885

“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.