SCHEMBL8990611

SCHEMBL8990611

C[C@@H](Nc1cccc(C2CNc3ncc(Cl)cc32)n1)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.40
GPR55 Q9Y2T6 5/20 0.38
ATP1A1 P05023 1/20 0.36
ATP1B1 P05026 1/20 0.36
ATP1A3 P13637 1/20 0.36
ATP1B2 P14415 1/20 0.36
ATP1A2 P50993 1/20 0.36
ATP1B3 P54709 1/20 0.36
FXYD2 P54710 1/20 0.36
ATP1A4 Q13733 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
JAK2 O60674 1/20 0.35
MAPK14 Q16539 3/20 0.35

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
SCHEMBL13932795 0.83 PSEN1 (0.39) NTRK1GPR55PSEN1PSEN2APH1B
SCHEMBL8989594 0.79 ESR1 (0.36) MAPK14
SCHEMBL13933313 0.79 NTRK1 (0.41) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL13932797 0.76 NTRK1 (0.36) NTRK1GPR55PSEN1PSEN2APH1B
SCHEMBL13932778 0.76 KRAS (0.37) NTRK1GPR55PSEN1PSEN2APH1B
SCHEMBL13932798 0.75 PTGER4 (0.39) NTRK1
SCHEMBL13932794 0.74 IDH1 (0.37) NTRK1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL8988092 0.73 TSHR (0.38)
SCHEMBL8940910 0.70 JAK2 (0.45) NTRK1GPR55JAK2
SCHEMBL8943443 0.70 JAK2 (0.45) NTRK1GPR55JAK2

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-8188281-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 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-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 NTRK1 1417/4885GPR55 3007/4885ATP1A1 4394/4885

“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.