SCHEMBL6694832

SCHEMBL6694832

Cc1nc(NC2CCC(C)CC2)nc(-n2ccnc2)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
TSHR P16473 1/20 0.41
CD38 P28907 1/20 0.40
MAPT P10636 8/20 0.38
MAPK1 P28482 4/20 0.38
NPSR1 Q6W5P4 4/20 0.38
XBP1 P17861 1/20 0.37
ATM Q13315 1/20 0.37
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
ALDH1A1 P00352 5/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.33
MITF O75030 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL6698271 0.88 MAPT (0.35) SMN1; SMN2TSHRCD38MAPTMAPK1
SCHEMBL6698268 0.88 MAPT (0.35) SMN1; SMN2TSHRCD38MAPTMAPK1
SCHEMBL6698274 0.88 MAPT (0.35) SMN1; SMN2TSHRCD38MAPTMAPK1
SCHEMBL6704691 0.88 MAPT (0.35) SMN1; SMN2TSHRCD38MAPTMAPK1
SCHEMBL6704687 0.88 MAPT (0.35) SMN1; SMN2TSHRCD38MAPTMAPK1
SCHEMBL6692306 0.84 GRIA1 (0.36) SMN1; SMN2TSHRCD38MAPTMAPK1
SCHEMBL6960035 0.84 GRIA1 (0.36) SMN1; SMN2TSHRCD38MAPTMAPK1
SCHEMBL6692314 0.84 GRIA1 (0.36) SMN1; SMN2TSHRCD38MAPTMAPK1
SCHEMBL6692310 0.84 GRIA1 (0.36) SMN1; SMN2TSHRCD38MAPTMAPK1
SCHEMBL6960039 0.84 GRIA1 (0.36) SMN1; SMN2TSHRCD38MAPTMAPK1

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 9 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
CN-1297447-A Antiviral pyrimidine derivatives TULARIK INC (US) 2001-05-30 CN 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 SMN1; SMN2 2908/4885TSHR 4768/4885CD38 1505/4885
US-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS SMN1; SMN2 2908/4885TSHR 4768/4885CD38 1505/4885

“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.