SCHEMBL6701455

SCHEMBL6701455

Cc1nc(N(C)c2ccc(Cl)cc2)nc(-n2ccnc2C)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 3/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL6694037 0.89 NPC1 (0.49) MAPTRAB9ANPC1ATMALDH1A1
SCHEMBL6695432 0.78 NPC1 (0.47) MAPTRAB9ANPC1ATMALDH1A1
SCHEMBL6694823 0.78 NPC1 (0.47) MAPTRAB9ANPC1ATMALDH1A1
SCHEMBL6697320 0.78 MAPT (0.40) MAPTRAB9ANPC1ATMALDH1A1
SCHEMBL6697673 0.77 MAPT (0.47) MAPTRAB9ANPC1ATMALDH1A1
SCHEMBL6694814 0.76 CYP1A2 (0.38) MAPTATMALDH1A1KDM4EKMT2A
SCHEMBL6701919 0.74 MAPT (0.43) MAPTATMALDH1A1L3MBTL1KDM4E
SCHEMBL7044714 0.71 MAPT (0.44) MAPTRAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL6701927 0.70 MAPT (0.59) MAPTRAB9ANPC1ATMALDH1A1
SCHEMBL7044716 0.70 MAPT (0.42) MAPTRAB9ANPC1ALDH1A1L3MBTL1

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 1762/4885RAB9A 3813/4885NPC1 2412/4885
US-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS MAPT 1762/4885RAB9A 3813/4885NPC1 2412/4885

“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.