SCHEMBL557514

SCHEMBL557514

O=C(NCC(F)(F)F)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
CNR1 P21554 1/20 0.59
EPHX1 P07099 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
TP53 P04637 2/20 0.57
TSHR P16473 1/20 0.57
EPHX2 P34913 1/20 0.57
CDK9 P50750 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
POLB P06746 1/20 0.54
MAOB P27338 1/20 0.54
HTT P42858 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
S1PR2 O95136 1/20 0.53
S1PR4 O95977 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL3431630 0.86 SMN1; SMN2 (0.56) L3MBTL1CNR1EPHX1SMN1; SMN2TP53
SCHEMBL10263293 0.83 CNR1 (0.54) L3MBTL1CNR1EPHX1SMN1; SMN2TP53
SCHEMBL10202733 0.83 SMN1; SMN2 (0.54) L3MBTL1CNR1EPHX1SMN1; SMN2TP53
SCHEMBL1116578 0.82 L3MBTL1 (0.55) L3MBTL1CNR1SMN1; SMN2TP53EPHX2
SCHEMBL16920271 0.82 NPC1 (0.60) L3MBTL1CNR1SMN1; SMN2TP53RAB9A
SCHEMBL19075440 0.82 CNR1 (0.52) L3MBTL1CNR1EPHX1SMN1; SMN2TP53
SCHEMBL12127864 0.81 SMN1; SMN2 (0.59) L3MBTL1CNR1EPHX1SMN1; SMN2TP53
SCHEMBL71711 0.80 L3MBTL1 (0.57) L3MBTL1SMN1; SMN2RAB9AMAPTGAA
SCHEMBL16588344 0.80 RAB9A (0.61) L3MBTL1SMN1; SMN2RAB9ANPC1HTT
SCHEMBL20725429 0.80 RAB9A (0.55) L3MBTL1SMN1; SMN2TP53RAB9ANPC1

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-8859583-B2 Bicyclic heterocyclic compounds as protein tyrosine kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-10-14 US disclosed
US-20120035153-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2012-02-09 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-20120035153-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BMX, CDK1 L3MBTL1 3793/4885CNR1 911/4885EPHX1 1726/4885

“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.