SCHEMBL5873082

SCHEMBL5873082

Cc1sc(-c2n[nH]c3c(C(F)(F)F)cccc23)nc1-c1ccc(N2CCNCC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.42
SOS1 Q07889 3/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1C Q13936 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
NCF1 P14598 1/20 0.40
PIM1 P11309 3/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ADRB2 P07550 1/20 0.38
METAP2 P50579 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL5873122 0.89 NTRK1 (0.45) NTRK1KCNH2CACNA1CASIC3PIM1
SCHEMBL5873047 0.86 ACVR1 (0.36) PIM1TLR9TLR8TLR7
SCHEMBL5873162 0.83 NTRK1 (0.55) NTRK1KCNH2CACNA1CASIC3PIM1
SCHEMBL5873142 0.75 ACVR1 (0.39) PIM1
SCHEMBL5873090 0.73 PLK4 (0.47) NTRK1TLR9TLR8TLR7
SCHEMBL6506307 0.73 LRRK2 (0.53) NTRK1
SCHEMBL5872877 0.72 LRRK2 (0.46) NTRK1TLR9TLR8TLR7
SCHEMBL5872891 0.70 FLT3 (0.46) NTRK1PIM1TLR8TLR7
SCHEMBL5873038 0.70 NTRK1 (0.40) NTRK1
SCHEMBL5872887 0.69 ACVR1 (0.44) NTRK1PIM1

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-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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 (2 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B NTRK1 4731/4885SOS1 3012/4885KCNH2 4483/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B NTRK1 4731/4885SOS1 3012/4885KCNH2 4483/4885

“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.