SCHEMBL5213222

SCHEMBL5213222

CS(=O)(=O)Nc1cccc(CNc2nc(Nc3ccc4[nH]cc(C5=CCNCC5)c4c3)ncc2Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 5/20 0.48
▸ NTRK1 P04629 5/20 0.43
▸ NUAK1 O60285 2/20 0.43
▸ STK16 O75716 2/20 0.43
▸ CSNK2A2 P19784 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ AAK1 Q2M2I8 2/20 0.43
▸ BMP2K Q9NSY1 2/20 0.43
▸ TBK1 Q9UHD2 2/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ ULK3 Q6PHR2 1/20 0.43
▸ BMPR2 Q13873 1/20 0.39
▸ NUAK2 Q9H093 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL5215707 0.91 PTK2 (0.60) PTK2NTRK1NUAK1STK16CSNK2A2
SCHEMBL5212591 0.90 PTK2 (0.51) PTK2ULK1CDK1CCNB1CDK7
SCHEMBL5210356 0.89 PTK2 (0.60) PTK2PTK2B
SCHEMBL6209598 0.89 PTK2 (0.44) PTK2NTRK1NUAK1STK16CSNK2A2
SCHEMBL6212141 0.88 KDM4E (0.43) PTK2NTRK1NUAK1STK16CSNK2A2
SCHEMBL5214796 0.88 PTK2 (0.46) PTK2NTRK1KDM4EMEN1ALDH1A1
SCHEMBL6212597 0.87 NTRK1 (0.49) PTK2NTRK1
SCHEMBL6242541 0.87 KDM4E (0.50) PTK2NTRK1JAK3KDM4EMEN1
SCHEMBL6236688 0.87 PTK2 (0.42) PTK2NTRK1NUAK1STK16CSNK2A2
SCHEMBL6216079 0.86 NTRK1 (0.47) PTK2NTRK1ULK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758887-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-03-07 — — EP claimed
WO-2005111016-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 — — WO claimed
US-20050256111-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-11-17 — — US claimed
US-7235562-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2007-06-26 — — US disclosed
EP-1796602-A2 MULTIFUNCTIONAL COMPOUNDS FOR FORMING CROSSLINKED BIOMATERIALS AND METHODS OF PREPARATION AND USE Angiotech Pharmaceuticals (US), Inc. (US) 2007-06-20 — — EP disclosed
EP-1758887-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-03-07 — — EP disclosed
WO-2006083260-A2 COMPOSITIONS AND SYSTEMS FOR FORMING CROSSLINKED BIOMATERIALS AND ASSOCIATED METHODS OF PREPARATION AND USE ANGIOTECH BIOMATERIALS CORPORATION (US) 2006-08-10 — — WO disclosed
WO-2006078282-A2 COMPOSITIONS AND SYSTEMS FOR FORMING CROSSLINKED BIOMATERIALS AND ASSOCIATED METHODS OF PREPARATION AND USE ANGIOTECH BIOMATERIALS CORPORATION (US) 2006-07-27 — — WO disclosed
WO-2006034128-A2 MULTIFUNCTIONAL COMPOUNDS FOR FORMING CROSSLINKED BIOMATERIALS AND METHODS OF PREPARATION AND USE ANGIOTECH BIOMATERIALS CORPORATION (US) 2006-03-30 — — WO disclosed
WO-2005111016-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 — — WO disclosed
US-20050256111-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-11-17 — — 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-20050256111-A1 Pyrimidine derivatives for the treatment of abnormal cell growth TYMS, TYMP, CCNA1 PTK2 3610/4885NTRK1 4052/4885NUAK1 2264/4885

“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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