SCHEMBL3454725

SCHEMBL3454725

Clc1cnc2nc(Cl)c3ccccc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
APEX1 P27695 1/20 0.41
PMP22 Q01453 1/20 0.41
JAK2 O60674 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HRH4 Q9H3N8 4/20 0.36
HRH3 Q9Y5N1 2/20 0.36
GUSB P08236 2/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35

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
SCHEMBL6525797 0.76 ABCG2 (0.50) MAPTCYP3A4HSD17B10KDM4EMEN1
SCHEMBL12786615 0.75 MAPT (0.48) LMNAMAPK1MAPTCYP3A4APEX1
SCHEMBL3252305 0.75 HTT (0.37) JAK2HRH4HRH3GUSBHTT
SCHEMBL23487497 0.72 JAK2 (0.42) MAPTJAK2MAOAMAOBGABRP
SCHEMBL6524942 0.71 IDO1 (0.45) LMNAMAPK1MAPTCYP3A4APEX1
SCHEMBL6527179 0.71 IDO1 (0.45) LMNAMAPK1MAPTCYP3A4APEX1
SCHEMBL6521635 0.71 NPC1 (0.52) HTTNPC1KDM4EPOLBMEN1
SCHEMBL4421954 0.68 HSD17B10 (0.46) HRH4HRH3HTTHSD17B10NPC1
SCHEMBL14833019 0.67 HRH4 (0.64) LMNAMAPTHRH4HRH3HTT
SCHEMBL29237010 0.67 HRH4 (0.38) LMNAAPEX1JAK2HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 LMNA 1180/4885MAPK1 59/4885MAPT 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.