SCHEMBL1554448

SCHEMBL1554448

Nc1ncc(-c2ccc(=O)[nH]c2)c(-c2cccc(F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.52
ADORA2A P29274 10/20 0.45
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
CHUK O15111 1/20 0.43
MAP4K4 O95819 1/20 0.42
RPS6KA3 P51812 1/20 0.41
ADORA2B P29275 1/20 0.41

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
SCHEMBL1553753 0.85 ADORA1 (0.61) ADORA1ADORA2A
SCHEMBL5454050 0.83 ADORA1 (0.49) ADORA1ADORA2ACCNT1CCNA2CDK2
SCHEMBL3455198 0.81 CHUK (0.47) ADORA1ADORA2ACHUKMAP4K4ADORA2B
SCHEMBL6133664 0.80 ADORA1 (0.45) ADORA1ADORA2ACCNT1CCNA2CDK2
SCHEMBL3840117 0.78 CHUK (0.51) ADORA1ADORA2ACHUKMAP4K4ADORA2B
SCHEMBL1554437 0.78 ADORA1 (0.57) ADORA1ADORA2ARPS6KA3ADORA2B
SCHEMBL5447978 0.77 ADORA1 (0.69) ADORA1ADORA2AADORA2B
SCHEMBL1553929 0.77 ADORA1 (0.61) ADORA1ADORA2ARPS6KA3ADORA2B
SCHEMBL5459579 0.76 ADORA1 (0.55) ADORA1ADORA2ACCNT1CCNA2CDK2
SCHEMBL5455467 0.76 ADORA1 (0.64) ADORA1ADORA2ARPS6KA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439175-B1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2011-04-27 EP claimed
EP-1439175-B1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2011-04-27 EP disclosed
EP-1439175-B1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2011-04-27 EP disclosed
EP-2246344-A1 Pyrimidine compounds and medicinal composition thereof Eisai R&D Management Co., Ltd. (JP) 2010-11-03 EP disclosed
CN-100519549-C Pyrimidine compounds and pharmaceutical compositions containing the same EISAI R&D MAN CO LTD (JP) 2009-07-29 CN disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
CN-1575290-A Pyrimidine derivatives and pharmaceutical compositions containing that compounds EISAI CO LTD (JP) 2005-02-02 CN disclosed
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
EP-1439175-A1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-07-21 EP 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-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF CBR3, AHR, HCCS ADORA1 328/4885ADORA2A 539/4885CCNT1 23/4885
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof ADORA2B, ADORA2A, ADORA3 ADORA1 4/4885ADORA2A 2/4885CCNT1 858/4885

“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.