SCHEMBL4038271

SCHEMBL4038271

Cc1n[nH]c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
ALDH1A1 P00352 4/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 2/20 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
SCHEMBL11340041 0.84 MAPT (0.42) MAPTALDH1A1CASP7CASP6ADORA2A
SCHEMBL26981949 0.82 MAPT (0.38) MAPTALDH1A1CASP7CASP6ADORA2A
SCHEMBL29169668 0.80 KDM4E (0.34) MAPTALDH1A1CASP7CASP6KDM4E
SCHEMBL18320971 0.79 SMN1; SMN2 (0.37) MAPTALDH1A1CASP7CASP6ADORA2A
SCHEMBL18320597 0.79 HTT (0.41) MAPTALDH1A1CASP7CASP6ADORA2A
SCHEMBL6446382 0.78 PKM (0.38) MAPTALDH1A1CASP7CASP6KDM4E
SCHEMBL1527741 0.78 SMN1; SMN2 (0.41) MAPTALDH1A1CASP7CASP6KDM4E
SCHEMBL4043569 0.78 KDM4E (0.34) MAPTALDH1A1CASP7CASP6KDM4E
SCHEMBL5416309 0.77 PDE4D (0.50) MAPTALDH1A1CASP7CASP6KDM4E
SCHEMBL1070 0.76 SMN1; SMN2 (0.52) MAPTALDH1A1CASP7CASP6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4282361-A Synthesis for 7-alkylamino-3-methylpyrazolo [4,3-d]pyrimidines MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1981-08-04 US claimed
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed
EP-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 EP disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 US disclosed
US-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 US disclosed
EP-1809632-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-07-25 EP disclosed
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 WO disclosed
EP-1620437-A1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION Pfizer Limited (GB) 2006-02-01 EP disclosed
US-20050043325-A1 Novel pharmaceuticals PFIZER INC 2005-02-24 US disclosed
WO-2004096810-A1 5,7-DIAMINOPYRAZOLO`4,3-D!PYRIMIDINES USEFUL IN THE TREATMENT OF HYPERTENSION PFIZER LIMITED (GB) 2004-11-11 WO disclosed
US-4282361-A Synthesis for 7-alkylamino-3-methylpyrazolo [4,3-d]pyrimidines MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1981-08-04 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-20050043325-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 MAPT 1823/4885ALDH1A1 851/4885CASP7 3473/4885
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 MAPT 526/4885ALDH1A1 432/4885CASP7 4657/4885
US-20070270412-A1 NOVEL PHARMACEUTICALS ABCB11, PCSK9, SLC10A1 MAPT 1823/4885ALDH1A1 851/4885CASP7 3473/4885

“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.