SCHEMBL6692301

SCHEMBL6692301

Cc1nc(N2CCN(Cc3ccccc3)CC2)nc(-n2ccnc2C)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
CYP2D6 P10635 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 2/20 0.41

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 0.75 MAPT (0.43) MAPTCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL6697673 0.75 MAPT (0.47) MAPTCYP2C9CYP1A2CYP3A4ALDH1A1
SCHEMBL6696477 0.71 LMNA (0.41) MAPTLMNASMN1; SMN2KMT2ATP53
SCHEMBL6696084 0.71 LMNA (0.49) MAPTCYP2C9CYP1A2CYP3A4ALDH1A1
SCHEMBL6694037 0.70 NPC1 (0.49) MAPTCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL6696470 0.69 MAPT (0.38) MAPTCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL8807892 0.69 LMNA (0.54) MAPTALDH1A1LMNAHTTL3MBTL1
SCHEMBL6706025 0.68 ALDH1A1 (0.71) MAPTALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL2628838 0.68 MAPT (1.00) MAPTCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL6693069 0.67 MAPT (0.45) MAPTCYP2C9CYP1A2CYP3A4ALDH1A1

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 1762/4885CYP2C9 1486/4885CYP1A2 2657/4885
US-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS MAPT 1762/4885CYP2C9 1486/4885CYP1A2 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.