SCHEMBL516656

SCHEMBL516656

Nc1nc(-n2nc(Nc3ccccc3F)c3ccccc32)nc(N)c1N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.47
▸ GUCY1A1 Q02108 11/20 0.42
▸ GUCY1B1 Q02153 11/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ HTR2A P28223 3/20 0.40
▸ KCNH2 Q12809 5/20 0.39
▸ LMNA P02545 1/20 0.38
▸ PTK2 Q05397 1/20 0.37

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
Formic Acid SCHEMBL516509 0.93 TTK (0.43) TTKGUCY1A1GUCY1B1KDM4EMEN1
SCHEMBL516244 0.85 RAB9A (0.48) TTKGUCY1A1GUCY1B1KDM4EMEN1
SCHEMBL7903452 0.82 GUCY1A1 (0.50) TTKGUCY1A1GUCY1B1MEN1RAB9A
Formic Acid SCHEMBL516290 0.79 GUCY1A1 (0.51) TTKGUCY1A1GUCY1B1HTR2AKCNH2
SCHEMBL516291 0.78 GUCY1A1 (0.56) TTKGUCY1A1GUCY1B1KCNH2
SCHEMBL516207 0.72 GUCY1A1 (0.40) TTKGUCY1A1GUCY1B1KCNH2
SCHEMBL516992 0.72 GUCY1A1 (0.42) GUCY1A1GUCY1B1MAPTSMN1; SMN2KCNH2
SCHEMBL15256406 0.65 MAPT (0.50) KDM4EMEN1MAPTRAB9AKMT2A
SCHEMBL15385073 0.64 ALDH1A1 (0.43) GUCY1A1GUCY1B1MAPTSMN1; SMN2KCNH2
SCHEMBL516890 0.64 F12 (0.34) GUCY1A1GUCY1B1KDM4EMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-11-14 — — US disclosed
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-11-14 — — US disclosed
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-11-14 — — US disclosed
US-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 — — US disclosed
US-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 — — US disclosed
US-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 — — US disclosed
WO-2010079120-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 — — 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 (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-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 TTK 496/4885GUCY1A1 3203/4885GUCY1B1 2537/4885
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 TTK 496/4885GUCY1A1 3203/4885GUCY1B1 2537/4885

“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.

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