SCHEMBL6695877

SCHEMBL6695877

CCCOc1nc(C)c([N+](=O)[O-])c(-n2ccnc2C)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NOS1 P29475 1/20 0.32
PDE5A O76074 2/20 0.32
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL6697320 0.77 MAPT (0.40) MAPTATMCYP1A2CYP3A4CYP2D6
SCHEMBL6694814 0.76 CYP1A2 (0.38) MAPTATMCYP1A2CYP3A4CYP2D6
SCHEMBL6694812 0.74 MAPT (0.36) MAPTATMCYP1A2CYP3A4CYP2D6
SCHEMBL21076665 0.72 MAPT (0.38) MAPTALDH1A1KDM4ERAB9AKMT2A
SCHEMBL8151828 0.71 MAPT (0.34) MAPTATMALDH1A1KDM4ERAB9A
SCHEMBL6697673 0.70 MAPT (0.47) MAPTATMCYP1A2CYP3A4CYP2C9
SCHEMBL6701919 0.70 MAPT (0.43) MAPTATMCYP1A2CYP3A4CYP2C9
SCHEMBL6696475 0.69 CRHR1 (0.39) MAPTATMCYP1A2CYP3A4CYP2D6
SCHEMBL6697459 0.69 KMT2A (0.39) MAPTATMCYP1A2CYP2C9CYP2C19
SCHEMBL6694037 0.69 NPC1 (0.49) MAPTATMCYP1A2CYP3A4CYP2D6

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-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US disclosed
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US disclosed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US disclosed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US disclosed
WO-2007031829-A2 NOVEL PYRIMIDINE CARBOXAMIDES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-22 WO disclosed
US-6835726-B2 Pyrimidine derivatives AMGEN INC. 2004-12-28 US disclosed
US-20040006068-A1 Pyrimidine derivatives TULARIK INC. 2004-01-08 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20070072876-A1 Novel pyrimidine carboxamides UACA, SI, MYLK2 MAPT 160/4885ATM 1306/4885CYP1A2 1567/4885
US-20030130264-A1 Methods of using pyrimidine-based antiviral agents TYMP, TYMS, NUDT1 MAPT 2656/4885ATM 3318/4885CYP1A2 3150/4885
US-20010018436-A1 Pyrimidine derivatives TYMP, TYMS, UMPS MAPT 1762/4885ATM 2349/4885CYP1A2 2657/4885
US-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS MAPT 1762/4885ATM 2349/4885CYP1A2 2657/4885

“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.