SCHEMBL15469751

SCHEMBL15469751

Cc1c([N+](=O)[O-])c(CCl)nn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CHEK1 O14757 1/20 0.39
DAPK3 O43293 1/20 0.39
GRK5 P34947 1/20 0.39
LIMK1 P53667 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL13195724 0.84 SMN1; SMN2 (0.45) PKMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL27312546 0.81 SMN1; SMN2 (0.61) PKMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1857212 0.79 PKM (0.41) PKMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14376855 0.79 SMN1; SMN2 (0.46) PKMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8340619 0.78 SMN1; SMN2 (0.44) PKMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9202274 0.76 PKM (0.47) PKMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2386652 0.75 PKM (0.66) PKMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL18282576 0.73 PKM (0.48) PKMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL25170908 0.72 PKM (0.47) PKMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14357647 0.72 MAPT (0.48) PKMSMN1; SMN2NPC1RAB9AMAPT

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
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-26 US disclosed
US-20170239245-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-24 US disclosed
US-9422250-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2016-08-23 US disclosed
US-20140045849-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2014-02-13 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 (3 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-20140045849-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 PKM 1984/4885SMN1; SMN2 3359/4885NPC1 1081/4885
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 PKM 1984/4885SMN1; SMN2 3359/4885NPC1 1081/4885
US-20170239245-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 PKM 1984/4885SMN1; SMN2 3359/4885NPC1 1081/4885

“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.