SCHEMBL6695417

SCHEMBL6695417

Cc1nc(NCc2ccc(C(F)(F)F)cc2)nc(-n2ccnc2C)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CRHR1 P34998 2/20 0.39
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR3C2 P08235 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL13316833 0.78 SMN1; SMN2 (0.56) ALDH1A1CRHR1MAPTPOLBSMN1; SMN2
SCHEMBL6696477 0.76 LMNA (0.41) KDM4EMAPTTP53GAASMN1; SMN2
SCHEMBL6693184 0.74 MAPK14 (0.35) ALDH1A1MAPTGAAATMPTGS2
SCHEMBL8151831 0.74 MAPT (0.35) KDM4EALDH1A1MAPTATM
SCHEMBL6694812 0.73 MAPT (0.36) KDM4EALDH1A1MAPTPOLBCYP1A2
SCHEMBL6697459 0.71 KMT2A (0.39) KDM4EALDH1A1MAPTPOLBGAA
SCHEMBL6698332 0.70 KMT2A (0.40) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL6703138 0.70 MAPT (0.41) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL6696470 0.70 MAPT (0.38) KDM4EALDH1A1MAPTTP53POLB
SCHEMBL6693074 0.69 SYK (0.36) KDM4EALDH1A1MAPTPOLBSMN1; SMN2

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
US-6835726-B2 Pyrimidine derivatives AMGEN INC. 2004-12-28 US disclosed
US-20040006068-A1 Pyrimidine derivatives TULARIK INC. 2004-01-08 US disclosed
WO-2002064096-A9 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC (US) 2003-10-16 WO disclosed
EP-1056742-B1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK INC (US) 2003-07-23 EP disclosed
US-20030130264-A1 Methods of using pyrimidine-based antiviral agents TULARIK INC. (US) 2003-07-10 US disclosed
US-6528513-B2 Viricides; especially cytomegalo virus TULARIK INC 2003-03-04 US disclosed
WO-2002064096-A2 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC. (US) 2002-08-22 WO disclosed
US-20010018436-A1 Pyrimidine derivatives TULARIK INC. 2001-08-30 US disclosed
US-6200977-B1 USEFUL IN TREATING AND SUPPRESSING HUMAN CYTOMEGALOVIRUS TULARIK INC. 2001-03-13 US disclosed
EP-1056742-A1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK, INC. (US) 2000-12-06 EP disclosed
WO-1999041253-A1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK INC. (US) 1999-08-19 WO 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 (3 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-20030130264-A1 Methods of using pyrimidine-based antiviral agents TYMP, TYMS, NUDT1 KDM4E 1947/4885ALDH1A1 2001/4885CRHR1 4562/4885
US-20010018436-A1 Pyrimidine derivatives TYMP, TYMS, UMPS KDM4E 2819/4885ALDH1A1 2587/4885CRHR1 4794/4885
US-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS KDM4E 2819/4885ALDH1A1 2587/4885CRHR1 4794/4885

“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.