SCHEMBL4809348

SCHEMBL4809348

CN(O)C(=O)c1cc2cnn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
PKM P14618 4/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 3/20 0.39
SMO Q99835 4/20 0.39
PKLR P30613 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
CACNA1H O95180 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MLNR O43193 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 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
SCHEMBL2950609 0.83 MAOB (0.51) CACNA1HALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4806766 0.83 MAPT (0.45) BRD4MAPK1CACNA1HALDH1A1EGFR
SCHEMBL4800062 0.81 HDAC6 (0.45) BRD4PKMMITFHTTRAB9A
SCHEMBL4807601 0.77 MMP13 (0.45) BRD4HTTALDH1A1
SCHEMBL5849422 0.75 MEN1 (0.48) ALDH1A1HPGDTSHR
SCHEMBL4798552 0.73 MAOB (0.48) NPSR1CACNA1HALDH1A1
SCHEMBL4798568 0.72 THRB (0.39) CACNA1H
SCHEMBL6840422 0.72 P2RY14 (0.47) BRD4PKMMITFHTTRAB9A
SCHEMBL4803736 0.72 MAOB (0.47) RAB9ASMOTDP1CACNA1H
SCHEMBL1684265 0.72 RXFP1 (0.41) ALDH1A1HPGD

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 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
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 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 (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 BRD4 1256/4885PKM 1971/4885MITF 4082/4885

“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.