SCHEMBL6318699

SCHEMBL6318699

COc1ccc(-c2noc(N)c2C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.44
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
KDR P35968 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
MAPT P10636 1/20 0.41
HDAC1 Q13547 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
GABRA1 P14867 1/20 0.40

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
SCHEMBL6316803 0.92 ROCK2 (0.46) HCRTR1HCRTR2MAPTALDH1A1
SCHEMBL6315541 0.92 GSK3B (0.46) HCRTR1HCRTR2KDRCDK2GSK3B
SCHEMBL6324039 0.85 ALDH1A1 (0.52) CDK2GSK3BMAPTHDAC1LMNA
SCHEMBL6315348 0.85 ADRB2 (0.46) CDK2GSK3BMAPTHDAC1LMNA
SCHEMBL6323609 0.84 ADORA2A (0.48) CDK2GSK3BHDAC1LMNAALDH1A1
SCHEMBL6323629 0.84 MET (0.44) CDK2GSK3BMAPTHDAC1LMNA
SCHEMBL6316520 0.84 MAPT (0.52) HCRTR1HCRTR2CDK2GSK3BMAPT
SCHEMBL6323365 0.84 CDK2 (0.47) CDK2GSK3BMAPTHDAC1LMNA
SCHEMBL6321897 0.83 SMN1; SMN2 (0.47) HCRTR1HCRTR2HDAC1LMNAALDH1A1
SCHEMBL6324450 0.83 NTRK1 (0.45) HDAC1LMNAKDM4EGABRA1

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 TACR1 4879/4885HCRTR1 4375/4885HCRTR2 4380/4885

“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.