SCHEMBL4807259

SCHEMBL4807259

CC1C(=O)NCCN1Cc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)N(C)O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
MLNR O43193 8/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.37
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNB3 P54284 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNG7 P62955 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNG1 Q06432 1/20 0.37
CACNB2 Q08289 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
SCHEMBL4800116 0.84 GRM2 (0.44) MLNRMAPTCACNB4CACNA1ACACNA1G
SCHEMBL5520368 0.81 CACNB4 (0.46) MLNRMAPTCACNB4CACNA1ACACNA1G
SCHEMBL5523822 0.81 GRM2 (0.45) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL5447690 0.81 GRM2 (0.45) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL4805325 0.81 CACNB4 (0.47) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL4805997 0.79 MAPT (0.35) KDM4EMLNRMAPTCACNB4CACNA1A
SCHEMBL5522567 0.79 CACNB4 (0.42) MLNRCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL4798568 0.79 THRB (0.39) MAPTCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL5256664 0.77 CACNB4 (0.40) KMT2AKDM4EMEN1MLNRMAPT
SCHEMBL5252439 0.76 GAA (0.43) KMT2AKDM4EMEN1MLNRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US claimed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-20050277662-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 (1 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP KMT2A 1367/4885KDM4E 821/4885MEN1 4787/4885

“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.