SCHEMBL3454686

SCHEMBL3454686

Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
MAPT P10636 1/20 0.65
HTT P42858 1/20 0.65
KCNK3 O14649 2/20 0.65
KCNK9 Q9NPC2 2/20 0.65
KCNQ3 O43525 2/20 0.62
KCNQ2 O43526 2/20 0.62
KCNE1 P15382 2/20 0.62
KCNQ1 P51787 2/20 0.62
PTGS1 P23219 1/20 0.62
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
KDM4E B2RXH2 1/20 0.62
KCNQ5 Q9NR82 1/20 0.61
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.61
PKM P14618 1/20 0.61
APEX1 P27695 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL3674558 0.88 KCNK3 (0.71) MEN1KMT2AMAPTHTTKCNK3
SCHEMBL6082893 0.88 MEN1 (0.71) MEN1KMT2AMAPTPTGS1RAB9A
SCHEMBL1455836 0.86 KCNK3 (0.72) MEN1KMT2AKCNK3KCNK9KCNQ3
SCHEMBL3453972 0.85 MEN1 (0.67) MEN1KMT2AMAPTPTGS1RAB9A
SCHEMBL309467 0.85 PTGS1 (0.72) MEN1KMT2AMAPTPTGS1KDM4E
SCHEMBL31171945 0.85 PTGS1 (0.72) MEN1KMT2AMAPTPTGS1KDM4E
SCHEMBL3786882 0.85 KCNK3 (0.87) MEN1KMT2AMAPTHTTKCNK3
Hydrochloric Acid SCHEMBL3718954 0.84 SMN1; SMN2 (0.68) MAPTRAB9ANPC1TDP1SMN1; SMN2
SCHEMBL16441866 0.84 KCNK3 (0.61) MEN1KMT2AMAPTHTTKCNK3
SCHEMBL12218356 0.84 RAB9A (0.73) MEN1KMT2AMAPTHTTKCNK3

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530444-B Novel NAMPT and IDO dual inhibitor and preparation method and medical application thereof 药康众拓(江苏)医药科技有限公司 2021-08-24 CN disclosed
CN-105884699-B 4- substituted aniline quinazoline derivative and its preparation method and application 中国药科大学 2019-05-07 CN disclosed
CN-108530444-A A kind of novel NAMPT and IDO double inhibitors and preparation method thereof and medical usage 中国药科大学 2018-09-14 CN disclosed
CN-105884699-A 4-substituted anilinoquinazoline derivatives, and preparation method and application thereof 中国药科大学 2016-08-24 CN disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
CN-101952287-A Kinases inhibitor and application thereof MERCK SERONO SA 2011-01-19 CN disclosed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 WO disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 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 (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-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 MEN1 3455/4885KMT2A 2055/4885MAPT 1565/4885

“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.