SCHEMBL166184

SCHEMBL166184

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 4/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 3/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
TLR9 Q9NR96 1/20 0.33
GAA P10253 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
SCHEMBL2840083 0.86 MAPT (0.54) MAPTPKMTDP1KMT2AMEN1
SCHEMBL257010 0.86 ALDH1A1 (0.38) MAPTPKMSMN1; SMN2TDP1RAB9A
SCHEMBL56358 0.80 MAPT (0.50) MAPTPKMTDP1KMT2AMEN1
SCHEMBL2459982 0.80 MAPT (0.35) MAPTPKMSMN1; SMN2TDP1RAB9A
SCHEMBL9465187 0.80 PKM (0.44) MAPTPKMSMN1; SMN2HTTLMNA
SCHEMBL29978776 0.80 MAPT (0.35) MAPTPKMSMN1; SMN2TDP1RAB9A
SCHEMBL6698344 0.77 MAPT (0.48) MAPTPKMSMN1; SMN2TDP1KMT2A
SCHEMBL9202861 0.76 PKM (0.44) MAPTPKMSMN1; SMN2TDP1RAB9A
SCHEMBL8873122 0.76 PKM (0.41) MAPTPKMSMN1; SMN2TDP1RAB9A
SCHEMBL6355485 0.74 PKM (0.43) MAPTPKMSMN1; SMN2TDP1RAB9A

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3450433-B1 PURINE DERIVATIVES AS TLR7 INHIBITORS FOR TREATING E.G. SYSTEMIC LUPUS ERYTHEMATOSUS SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2021-08-18 EP disclosed
US-10703755-B2 Substituted purine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-07-07 US disclosed
US-10703755-B2 Substituted purine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-07-07 US disclosed
US-20190169191-A1 SUBSTITUTED PURINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-06-06 US disclosed
US-20190169191-A1 SUBSTITUTED PURINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-06-06 US disclosed
US-9993476-B2 Substituted 5-flouro-1H-pyrazolopyridines and their use ADVERIO PHARMA GMBH (DE) 2018-06-12 US disclosed
EP-2542552-B1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-15 EP disclosed
WO-2017188287-A1 SUBSTITUTED PURINE DERIVATIVE 大日本住友製薬株式会社 2017-11-02 WO disclosed
US-20170273977-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE ADVERIO PHARMA GMBH (DE) 2017-09-28 US disclosed
US-9718820-B2 Substituted aza-bicyclic imidazole derivatives useful TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-01 US disclosed
US-7470696-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
EP-1937653-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS KCNQ POTASSIUM CHANNELS OPENERS H.Lundbeck A/S (DK) 2008-07-02 EP disclosed
EP-1581539-A4 NOVEL TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-09-19 EP disclosed
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007065449-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS KCNQ POTASSIUM CHANNELS OPENERS H. LUNDBECK A/S (DK) 2007-06-14 WO disclosed
US-20070066612-A1 Substituted pyrimidine derivatives H. LUNDBECK A/S (DK) 2007-03-22 US disclosed
US-7189716-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-13 US disclosed
EP-1581539-A2 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
US-20040180897-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
WO-2004063151-A2 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 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 (6 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-20170273977-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE PFKP, PON1, FABP3 MAPT 4407/4885PKM 316/4885SMN1; SMN2 2262/4885
US-20070066612-A1 Substituted pyrimidine derivatives DPYD, TYMP, TYMS MAPT 3682/4885PKM 2298/4885SMN1; SMN2 2572/4885
US-20040180897-A1 Novel tyrosine kinase inhibitors ABL1, ROS1, YES1 MAPT 4438/4885PKM 986/4885SMN1; SMN2 4504/4885
US-10703755-B2 Substituted purine derivative TLR7, TLR9, TLR1 MAPT 4826/4885PKM 4636/4885SMN1; SMN2 967/4885
US-20190169191-A1 SUBSTITUTED PURINE DERIVATIVE TLR7, TLR9, TLR1 MAPT 4826/4885PKM 4636/4885SMN1; SMN2 967/4885
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, ERBB2, ROS1 MAPT 4233/4885PKM 954/4885SMN1; SMN2 4588/4885

“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.