SCHEMBL6693089

SCHEMBL6693089

CC[C@H]1CCCC[C@H]1Nc1nc(C)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.37
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
GABBR2 O75899 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6693085 1.00 PTPN11 (0.37) PTPN11KMT2AMEN1GABBR2CYP1A2
SCHEMBL6697717 0.79 GRIA1 (0.34) KMT2AMEN1LMNAMAPTMITF
SCHEMBL6697713 0.79 GRIA1 (0.34) KMT2AMEN1LMNAMAPTMITF
SCHEMBL7044696 0.78 JAK2 (0.31)
SCHEMBL6699317 0.68 PRKCQ (0.42) KMT2AMEN1CYP1A2TDP1MAPT
SCHEMBL6692314 0.65 GRIA1 (0.36) KMT2AMEN1POLBLMNAMAPT
SCHEMBL6960035 0.65 GRIA1 (0.36) KMT2AMEN1POLBLMNAMAPT
SCHEMBL6692310 0.65 GRIA1 (0.36) KMT2AMEN1POLBLMNAMAPT
SCHEMBL6960039 0.65 GRIA1 (0.36) KMT2AMEN1POLBLMNAMAPT
SCHEMBL6692306 0.65 GRIA1 (0.36) KMT2AMEN1POLBLMNAMAPT

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 6 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

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 PTPN11 3797/4885KMT2A 3049/4885MEN1 3659/4885
US-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS PTPN11 3797/4885KMT2A 3049/4885MEN1 3659/4885

“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.