SCHEMBL6697673

SCHEMBL6697673

Cc1nc(N(C)Cc2ccccc2)nc(-n2ccnc2C)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
LMNA P02545 4/20 0.47
ATM Q13315 1/20 0.43
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
DCTPP1 Q9H773 1/20 0.35

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
SCHEMBL6701919 0.92 MAPT (0.43) MAPTLMNAATMCYP1A2POLB
SCHEMBL6693069 0.90 MAPT (0.45) MAPTLMNAATMCRHBPCRHR2
SCHEMBL6696475 0.85 CRHR1 (0.39) MAPTLMNAATMCYP1A2CYP3A4
SCHEMBL6694037 0.85 NPC1 (0.49) MAPTATMCYP1A2POLBCYP3A4
SCHEMBL6697467 0.83 MAPT (0.40) MAPTLMNAATMCRHBPCRHR2
SCHEMBL6696084 0.81 LMNA (0.49) MAPTLMNAATMCRHBPCRHR2
SCHEMBL6694814 0.81 CYP1A2 (0.38) MAPTLMNAATMCYP1A2POLB
SCHEMBL6697320 0.80 MAPT (0.40) MAPTATMCYP1A2CYP3A4CYP2C9
SCHEMBL6695254 0.78 LMNA (0.55) MAPTLMNACRHBPCRHR2CYP1A2
SCHEMBL6701455 0.77 MAPT (0.41) MAPTLMNAATMNPSR1NPC1

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 1762/4885LMNA 4485/4885ATM 2349/4885
US-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS MAPT 1762/4885LMNA 4485/4885ATM 2349/4885

“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.