SCHEMBL3140079

SCHEMBL3140079

Nc1[nH]nc(-c2ccc(Cl)cc2)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
IKBKB O14920 1/20 0.42
MAP3K14 Q99558 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTR1D P28221 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1E P28566 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR6 P50406 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SOS1 Q07889 1/20 0.41
GAA P10253 2/20 0.40

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
SCHEMBL4057416 0.81 ALDH1A1 (0.53) ALPLMKNK2MEN1KMT2ANPC1
SCHEMBL3501378 0.80 IKBKE (0.48) HTR7
SCHEMBL17128810 0.79 PDE3B (0.42) MKNK1MKNK2MEN1KMT2ANPC1
SCHEMBL1143552 0.78 IKBKB (0.50) ALPLMKNK1MKNK2IKBKBMAP3K14
SCHEMBL21775854 0.78 ALPL (0.44) ALPLMKNK1MKNK2IKBKBMAP3K14
SCHEMBL2614369 0.74 MAPT (0.54) MKNK2IKBKBMEN1KMT2ANPC1
SCHEMBL30737659 0.74 MAPT (0.44) ALPLMKNK1MKNK2IKBKBMAP3K14
SCHEMBL1143346 0.74 DRD2 (0.46) ALPLMKNK1MKNK2IKBKBMAP3K14
SCHEMBL30737570 0.74 IKBKB (0.42) ALPLMKNK1MKNK2IKBKBMAP3K14
SCHEMBL19927642 0.74 RPS6KA5 (0.49) ALPLMKNK1MKNK2IKBKBMAP3K14

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-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 US disclosed
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
CN-101331125-A N-(5-membered aromatic ring)-amido anti-viral compounds GENELABS TECH INC (US) 2008-12-24 CN disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 EP disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 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 (3 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-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 ALPL 3433/4885MKNK1 4050/4885MKNK2 4155/4885
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF NFE2, NFE2L2, UBE2N ALPL 3645/4885MKNK1 2849/4885MKNK2 2515/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 ALPL 3433/4885MKNK1 4050/4885MKNK2 4155/4885

“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.