SCHEMBL5212767

SCHEMBL5212767

FC(F)(F)c1cnc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)nc1Nc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 3/20 0.47
▸ PTK2 Q05397 2/20 0.43
▸ PTK2B Q14289 2/20 0.43
▸ CDK1 P06493 5/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MARK3 P27448 1/20 0.42
▸ PRKCI P41743 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ CAMK2B Q13554 1/20 0.42
▸ CAMK2G Q13555 1/20 0.42
▸ CAMK2D Q13557 1/20 0.42
▸ BRSK1 Q8TDC3 1/20 0.42

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
SCHEMBL5210684 0.88 PTK2 (0.45) ULK1PTK2CDK1KDM4EALDH1A1
SCHEMBL5213817 0.87 CDK1 (0.47) ULK1PTK2BCDK1KDM4EALDH1A1
SCHEMBL12901101 0.86 KDM4E (0.43) KDM4EALDH1A1MAPTHSD17B10HTR2C
SCHEMBL5216635 0.85 PTK2 (0.45) PTK2PTK2BJAK2CDK2
SCHEMBL5213071 0.80 PTK2 (0.41) PTK2PTK2BCDK1KDM4EALDH1A1
SCHEMBL1231947 0.80 KDM4E (0.42) KDM4EALDH1A1MAPTHSD17B10HTR2C
SCHEMBL6212755 0.79 PTK2 (0.46) PTK2PTK2BKDM4EALDH1A1MAPT
SCHEMBL5208214 0.79 PTK2 (0.61) PTK2PTK2B
SCHEMBL5213023 0.78 PTK2 (0.63) PTK2PTK2BCDK1JAK2PRKD3
SCHEMBL5213474 0.78 PTK2 (0.61) ULK1PTK2PTK2BCDK1

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 ULK1 3275/4885PTK2 3610/4885PTK2B 3168/4885

“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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