SCHEMBL5493564

SCHEMBL5493564

NCCCNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 11/20 0.75
PTK2 Q05397 9/20 0.72
CHEK1 O14757 8/20 0.69
FLT3 P36888 8/20 0.69
KIT P10721 2/20 0.67
ULK1 O75385 1/20 0.63
STK17A Q9UEE5 1/20 0.61
AURKA O14965 1/20 0.60
BRD4 O60885 1/20 0.60
GABRA1 P14867 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60

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
SCHEMBL5498441 0.94 PTK2B (0.78) PTK2BPTK2CHEK1FLT3KIT
SCHEMBL17547600 0.92 CHEK1 (0.73) PTK2BPTK2CHEK1FLT3KIT
SCHEMBL29575312 0.92 CHEK1 (0.73) PTK2BPTK2CHEK1FLT3KIT
Hydrochloric Acid SCHEMBL17544787 0.91 CHEK1 (0.72) PTK2BPTK2CHEK1FLT3KIT
SCHEMBL3146707 0.91 PTK2B (0.75) PTK2BPTK2CHEK1FLT3ULK1
SCHEMBL3147828 0.90 PTK2B (0.74) PTK2BPTK2CHEK1FLT3ULK1
SCHEMBL3161179 0.90 PTK2B (0.77) PTK2BPTK2FLT3ULK1STK17A
SCHEMBL3154737 0.89 PTK2B (0.78) PTK2BPTK2FLT3ULK1STK17A
SCHEMBL3154998 0.89 PTK2B (0.78) PTK2BPTK2FLT3ULK1STK17A
SCHEMBL3163833 0.89 PTK2B (0.72) PTK2BPTK2CHEK1FLT3ULK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751143-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-02-14 EP claimed
US-7109337-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2006-09-19 US claimed
US-20060205945-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2006-09-14 US claimed
WO-2005111023-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO claimed
US-20050256145-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-11-17 US claimed
EP-1751143-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-02-14 EP disclosed
US-7109337-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2006-09-19 US disclosed
US-20060205945-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2006-09-14 US disclosed
WO-2005111023-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256145-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 (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-20060205945-A1 Pyrimidine derivatives for the treatment of abnormal cell growth TYMS, TYMP, DPYD PTK2B 2693/4885PTK2 3522/4885CHEK1 198/4885
US-20050256145-A1 Pyrimidine derivatives for the treatment of abnormal cell growth TYMS, TYMP, DPYD PTK2B 2693/4885PTK2 3522/4885CHEK1 198/4885

“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.