SCHEMBL6318314

SCHEMBL6318314

Nc1onc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC9A1 P19634 1/20 0.43
HPGD P15428 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6317335 0.95 MLYCD (0.46) CYP1A2CYP2C19SLC9A1HPGDKMT2A
SCHEMBL6317678 0.93 CYP1A2 (0.47) CYP1A2CYP2C19SLC9A1HPGDKMT2A
SCHEMBL6317464 0.93 HPGD (0.46) CYP1A2CYP2C19SLC9A1HPGDKMT2A
SCHEMBL6316618 0.92 TACR1 (0.46) TACR1HPGDALDH1A1POLBGAA
SCHEMBL6315919 0.90 CYP1A2 (0.47) CYP1A2CYP2C19SLC9A1HPGDKMT2A
SCHEMBL6320981 0.90 HPGD (0.43) CYP1A2CYP2C19SLC9A1HPGDKMT2A
SCHEMBL6322892 0.89 DDT (0.46) CYP1A2CYP2C19SLC9A1HPGDKMT2A
SCHEMBL6316981 0.89 CYP1A2 (0.44) CYP1A2CYP2C19SLC9A1HPGDKMT2A
SCHEMBL6317377 0.89 LMNA (0.48) CYP1A2CYP2C19HPGDKMT2AMEN1
SCHEMBL6324730 0.89 HPGD (0.46) CYP1A2CYP2C19SLC9A1HPGDKMT2A

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 4879/4885CYP1A2 4402/4885CYP2C19 3888/4885

“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.