SCHEMBL6315359

SCHEMBL6315359

CCc1ccc(-c2noc(N)c2C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.42
MAOB P27338 1/20 0.41
MLYCD O95822 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
P2RX1 P51575 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 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
SCHEMBL6321860 0.92 CCR1 (0.45) MLYCDCYP1A2CYP3A4CYP2D6HPGD
SCHEMBL6321669 0.90 TACR1 (0.48) TACR1MAOBMLYCDCA1CA2
SCHEMBL6315439 0.87 MAOB (0.42) TACR1MAOBMLYCDCA1CA2
SCHEMBL6317805 0.84 GAA (0.48) CA1CA2CA4CA7KDM4E
SCHEMBL6315818 0.83 PDPK1 (0.45) MAOBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6317533 0.83 EPHX2 (0.47) CA1CA2CA7KDM4EALDH1A1
SCHEMBL6314978 0.83 KMT2A (0.47) CA1CA2CA4CA7KDM4E
SCHEMBL6318253 0.83 LMNA (0.46) MAOBALDH1A1HPGD
SCHEMBL6317310 0.82 NTRK1 (0.45)
SCHEMBL6315582 0.82 CCR1 (0.48) MLYCDCYP1A2CYP3A4CYP2D6HPGD

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 4879/4885MAOB 1851/4885MLYCD 1582/4885

“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.