SCHEMBL6694037

SCHEMBL6694037

Cc1nc(N(C)c2ccccc2)nc(-n2ccnc2C)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 4/20 0.43
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6701455 0.89 MAPT (0.41) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL6695432 0.88 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL6694823 0.88 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL6697673 0.85 MAPT (0.47) NPC1RAB9AMAPTALDH1A1ATM
SCHEMBL6701919 0.83 MAPT (0.43) MAPTALDH1A1L3MBTL1ATMKMT2A
SCHEMBL6701927 0.80 MAPT (0.59) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL6697320 0.79 MAPT (0.40) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL6695454 0.78 NPC1 (0.77) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL6700137 0.78 NPC1 (0.49) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL6694814 0.78 CYP1A2 (0.38) MAPTALDH1A1ATMKMT2ACYP1A2

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

“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.