SCHEMBL6216079

SCHEMBL6216079

CNC(=O)c1cccc(CNc2nc(Nc3ccc4[nH]cc(C5=CCNCC5)c4c3)ncc2Br)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 8/20 0.47
▸ PTK2 Q05397 9/20 0.46
▸ ULK1 O75385 1/20 0.39
▸ NTRK3 Q16288 2/20 0.39
▸ NTRK2 Q16620 2/20 0.39

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
SCHEMBL6209598 0.88 PTK2 (0.44) NTRK1PTK2
SCHEMBL6212141 0.87 KDM4E (0.43) NTRK1PTK2
SCHEMBL6212597 0.87 NTRK1 (0.49) NTRK1PTK2
SCHEMBL5215707 0.86 PTK2 (0.60) NTRK1PTK2ULK1
SCHEMBL6242541 0.86 KDM4E (0.50) NTRK1PTK2
SCHEMBL6236688 0.86 PTK2 (0.42) NTRK1PTK2
SCHEMBL5213222 0.86 PTK2 (0.48) NTRK1PTK2ULK1
Trifluoroacetic Acid SCHEMBL6236987 0.85 NTRK1 (0.41) NTRK1PTK2
SCHEMBL5210356 0.85 PTK2 (0.60) PTK2
SCHEMBL6210939 0.84 HTR2C (0.42) NTRK1PTK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578732-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2005-09-28 — — EP claimed
US-20040220177-A1 Compound for the treatment of abnormal cell growth PFIZER INC 2004-11-04 — — US claimed
WO-2004056786-A2 PYRIMIDINE DERIVATES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-08 — — WO claimed
US-20040220177-A1 Compound for the treatment of abnormal cell growth PFIZER INC 2004-11-04 — — 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-20040220177-A1 Compound for the treatment of abnormal cell growth CCNA1, CCNB1, CCNT1 NTRK1 4221/4885PTK2 3004/4885ULK1 4689/4885

“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.

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