SCHEMBL5213817

SCHEMBL5213817

Cc1ccc(Nc2nc(Nc3ccc4[nH]cc(C5=CCNCC5)c4c3)ncc2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 7/20 0.47
▸ EGFR P00533 1/20 0.46
▸ CDK4 P11802 2/20 0.45
▸ ULK1 O75385 2/20 0.45
▸ MAPK3 P27361 1/20 0.45
▸ HTR6 P50406 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ BRCA1 P38398 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ PRKD3 O94806 1/20 0.44

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
Hydrochloric Acid SCHEMBL6237765 0.87 HTR6 (0.46) CDK1EGFRHTR6KDM4EMEN1
SCHEMBL5212850 0.87 HTR6 (0.46) CDK1EGFRHTR6KDM4EMEN1
SCHEMBL5212767 0.87 ULK1 (0.47) CDK1EGFRCDK4ULK1MAPK3
SCHEMBL5216635 0.84 PTK2 (0.45) JAK2AURKAPTK2B
SCHEMBL5213474 0.82 PTK2 (0.61) CDK1ULK1PTK2B
SCHEMBL6210939 0.81 HTR2C (0.42) CDK1EGFRHTR6KDM4EMEN1
SCHEMBL5208214 0.80 PTK2 (0.61) AURKAPTK2B
SCHEMBL5212591 0.80 PTK2 (0.51) CDK1ULK1PTK2B
SCHEMBL6237567 0.80 KDM4E (0.41) CDK1EGFRHTR6KDM4EMEN1
SCHEMBL5213071 0.79 PTK2 (0.41) CDK1HTR6KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235562-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2007-06-26 — — US claimed
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-1758887-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-03-07 — — EP 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 CDK1 27/4885EGFR 450/4885CDK4 47/4885

“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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