SCHEMBL2997649

SCHEMBL2997649

O=C(O)c1cc(-c2ccn[nH]2)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD74 P04233 1/20 0.58
MIF P14174 1/20 0.58
P2RY14 Q15391 1/20 0.51
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 2/20 0.49
NOTUM Q6P988 3/20 0.45
CNR1 P21554 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPK1 P28482 2/20 0.44
MAP2K4 P45985 2/20 0.44
MAPK6 Q16659 2/20 0.44
MAPKAPK3 Q16644 1/20 0.44
MAPKAPK5 Q8IW41 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
SCN4A P35499 1/20 0.41
BCAT2 O15382 1/20 0.41
FTO Q9C0B1 1/20 0.41
BRAF P15056 1/20 0.40
KMO O15229 1/20 0.39

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
SCHEMBL14896097 0.83 NOTUM (0.58) CD74MIFNOTUMCNR1KCNH2
SCHEMBL17048588 0.76 RXRA (0.72) P2RY14RXRARXRBRXRGCNR1
SCHEMBL25795132 0.76 NOTUM (0.50) NOTUMCNR1KCNH2MAPK1SCN4A
SCHEMBL27484945 0.76 RXRA (0.63) P2RY14RXRARXRBRXRGFTO
SCHEMBL3008680 0.75 RXRA (0.46) RXRARXRBRXRGMAPK1MAP2K4
Hydrochloric Acid SCHEMBL5371724 0.75 RXRA (0.61) P2RY14RXRARXRBRXRGKCNH2
SCHEMBL121358 0.73 RXRA (0.69) P2RY14RXRARXRBRXRGCNR1
SCHEMBL30469526 0.73 RXRA (0.74) P2RY14RXRARXRBRXRGKCNH2
SCHEMBL25560565 0.73 RXRA (0.74) P2RY14RXRARXRBRXRGKCNH2
SCHEMBL2996698 0.72 RXRA (0.50) P2RY14RXRARXRBRXRGCNR1

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-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 US disclosed
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 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 (3 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-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 CD74 4414/4885MIF 3391/4885P2RY14 1891/4885
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 CD74 4414/4885MIF 3391/4885P2RY14 1891/4885
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 CD74 4414/4885MIF 3391/4885P2RY14 1891/4885

“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.