SCHEMBL6707563

SCHEMBL6707563

CCCc1nn(C)c2c(NCc3ccc4c(c3)OCO4)nc(C3CCC(=CC(=O)OC)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 6/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
PPP1CA P62136 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
PDE5A O76074 2/20 0.37
HPGD P15428 4/20 0.36
USP2 O75604 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL6763958 0.93 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNAGAAHSD17B10
SCHEMBL6706976 0.88 CHRM4 (0.38) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL6712247 0.87 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAGAAHSD17B10
SCHEMBL6712239 0.86 PDE11A (0.41) PDE5A
Bicarbonate SCHEMBL6996680 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL6710400 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL6710529 0.82 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1LMNAGAAMAPT
Bicarbonate SCHEMBL6997209 0.81 CHRM4 (0.40) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL6709069 0.81 P2RX7 (0.33) GAAPDE5A
SCHEMBL6708793 0.81 PDE11A (0.41) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777419-B1 EXHIBIT PHOSPHODIESTERASE V INHIBITION AND CAN BE EMPLOYED FOR THE TREATMENT OF DISORDERS OF THE CARDIOVASCULAR SYSTEM OR ERECTILE DYSFUNCTION MERCK PATENT GMBH (DE) 2004-08-17 US disclosed
US-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates MERCK PATENT GMBH (DE) 2004-04-22 US disclosed
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
US-20040063730-A1 Pharmacuetical formulation comprising puyrazolo[4,-3-d]pyrimidines and antithrombotics, calcium antagonists, or prostaglandins or prostaglandin derivatives MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
US-20040023990-A1 Use of pyrazolo[4,3-d]pyrimidines MERCK PATENT GMBH (DE) 2004-02-05 US disclosed
US-20040023991-A1 Use of pyrazolo[4,3-d]pyrimidines MERCK PATENT GMBH (DE) 2004-02-05 US disclosed
EP-1357915-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO 4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2003-11-05 EP disclosed
WO-2002062343-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO[4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2002-08-15 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 (5 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-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates PTGIS, DPYD, PTGIR SMN1; SMN2 4332/4885ALDH1A1 1785/4885LMNA 4764/4885
US-20040023990-A1 Use of pyrazolo[4,3-d]pyrimidines P2RX3, HRH2, HRH4 SMN1; SMN2 1838/4885ALDH1A1 2291/4885LMNA 4294/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR SMN1; SMN2 4122/4885ALDH1A1 3483/4885LMNA 4526/4885
US-20040023991-A1 Use of pyrazolo[4,3-d]pyrimidines DPYD, TYMP, PNPO SMN1; SMN2 3536/4885ALDH1A1 524/4885LMNA 4660/4885
US-20040063730-A1 Pharmacuetical formulation comprising puyrazolo[4,-3-d]pyrimidines and antithrombotics, calcium antagonists, or prostaglandins or prostaglandin derivatives PTGIS, PTGIR, PTGER1 SMN1; SMN2 4038/4885ALDH1A1 1618/4885LMNA 4419/4885

“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.