SCHEMBL3495130

SCHEMBL3495130

O=c1c2ncc3c(c(CN4CCOCC4)cn3Cc3ccc(F)cc3)c2ccn1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PDE1A P54750 2/20 0.39
▸ PDE1B Q01064 2/20 0.39
▸ PDE1C Q14123 2/20 0.39
▸ CACNB4 O00305 1/20 0.39
▸ CACNA1A O00555 1/20 0.39
▸ CACNA1G O43497 1/20 0.39
▸ CACNG3 O60359 1/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNB3 P54284 1/20 0.39
▸ CACNA2D1 P54289 1/20 0.39
▸ CACNG7 P62955 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNB1 Q02641 1/20 0.39
▸ CACNG1 Q06432 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
SCHEMBL3495002 0.97 MEN1 (0.41) KMT2AMEN1MAPTMAPK1PDE1A
SCHEMBL4965332 0.93 CACNB4 (0.46) KMT2AMEN1CACNB4CACNA1ACACNA1G
SCHEMBL3494652 0.90 CACNB4 (0.40) KMT2AMEN1PDE1APDE1BPDE1C
SCHEMBL3496066 0.90 CACNB4 (0.40) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3494723 0.89 MCHR1 (0.39) PDE1APDE1BPDE1CCACNB4CACNA1A
SCHEMBL4962127 0.88 CACNB4 (0.36) KMT2APDE1APDE1BPDE1CCACNB4
SCHEMBL3498267 0.87 NPSR1 (0.41) KMT2AMEN1CACNB4CACNA1ACACNA1G
SCHEMBL3496054 0.87 CACNB4 (0.38) KMT2AMEN1CACNB4CACNA1ACACNA1G
SCHEMBL4964868 0.86 CYP19A1 (0.39) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL3496055 0.86 GRIN2B (0.42) KMT2AMEN1MAPTCACNB4CACNA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US claimed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP claimed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 — — EP claimed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — US claimed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 — — WO claimed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP disclosed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — 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 (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-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP KMT2A 1367/4885MEN1 4787/4885MAPT 600/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP KMT2A 1367/4885MEN1 4787/4885MAPT 600/4885

“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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