SCHEMBL6703138

SCHEMBL6703138

Cc1nc(NC2Cc3ccccc3C2)nc(-n2ccnc2C)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ATM Q13315 1/20 0.41
PRKCQ Q04759 1/20 0.37
ROCK1 Q13464 6/20 0.35
ENPP2 Q13822 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL6697459 0.85 KMT2A (0.39) MAPTATMALDH1A1CYP1A2CYP2C9
SCHEMBL6698332 0.84 KMT2A (0.40) MAPTATMALDH1A1CYP1A2CYP2C9
SCHEMBL6956055 0.82 SMN1; SMN2 (0.40) MAPTPRKCQROCK1ENPP2ALDH1A1
SCHEMBL6696926 0.78 SYK (0.36) MAPTATMALDH1A1KDM4ELMNA
SCHEMBL6693074 0.78 SYK (0.36) MAPTATMALDH1A1KDM4ELMNA
SCHEMBL6696921 0.78 SYK (0.36) MAPTATMALDH1A1KDM4ELMNA
SCHEMBL6859816 0.78 SYK (0.36) MAPTATMALDH1A1KDM4ELMNA
SCHEMBL6693078 0.78 SYK (0.36) MAPTATMALDH1A1KDM4ELMNA
SCHEMBL6699317 0.77 PRKCQ (0.42) MAPTPRKCQROCK1ENPP2CYP1A2
SCHEMBL7044694 0.74 PRKCQ (0.38) PRKCQROCK1ENPP2

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-6835726-B2 Pyrimidine derivatives AMGEN INC. 2004-12-28 US disclosed
US-20040006068-A1 Pyrimidine derivatives TULARIK INC. 2004-01-08 US disclosed
EP-1056742-B1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK INC (US) 2003-07-23 EP disclosed
US-6528513-B2 Viricides; especially cytomegalo virus TULARIK INC 2003-03-04 US 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 (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-20010018436-A1 Pyrimidine derivatives TYMP, TYMS, UMPS MAPT 1762/4885ATM 2349/4885PRKCQ 3108/4885
US-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS MAPT 1762/4885ATM 2349/4885PRKCQ 3108/4885

“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.