SCHEMBL6956055

SCHEMBL6956055

Cc1nc(NC2Cc3ccccc3C2)nc(-n2ccnc2)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ROCK1 Q13464 10/20 0.37
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
PRKCQ Q04759 1/20 0.35
ENPP2 Q13822 1/20 0.35
CYP11B2 P19099 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 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
SCHEMBL6694832 0.83 SMN1; SMN2 (0.41) SMN1; SMN2TSHRMAPTHTTMITF
SCHEMBL6703138 0.82 MAPT (0.41) MAPTHTTALDH1A1ROCK1PRKCQ
SCHEMBL6704691 0.80 MAPT (0.35) SMN1; SMN2TSHRMAPTHTTMITF
SCHEMBL6698268 0.80 MAPT (0.35) SMN1; SMN2TSHRMAPTHTTMITF
SCHEMBL6698271 0.80 MAPT (0.35) SMN1; SMN2TSHRMAPTHTTMITF
SCHEMBL6704687 0.80 MAPT (0.35) SMN1; SMN2TSHRMAPTHTTMITF
SCHEMBL6698274 0.80 MAPT (0.35) SMN1; SMN2TSHRMAPTHTTMITF
SCHEMBL6699317 0.79 PRKCQ (0.42) SMN1; SMN2MAPTHTTROCK1PRKCQ
SCHEMBL6692314 0.78 GRIA1 (0.36) SMN1; SMN2TSHRMAPTHTTMITF
SCHEMBL6692310 0.78 GRIA1 (0.36) SMN1; SMN2TSHRMAPTHTTMITF

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 4768/4885MAPT 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.