SCHEMBL7895323

SCHEMBL7895323

CCc1cccc(NC(C)=O)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.59
KDM4E B2RXH2 2/20 0.57
LMNA P02545 1/20 0.57
CHRNB2 P17787 2/20 0.55
CHRNB4 P30926 2/20 0.55
CHRNA3 P32297 2/20 0.55
CHRNA4 P43681 2/20 0.55
NPSR1 Q6W5P4 1/20 0.49
SYK P43405 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NR3C2 P08235 1/20 0.45
RAB9A P51151 2/20 0.44
ATR Q13535 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
POLB P06746 1/20 0.41
NR4A1 P22736 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL3111821 0.87 CHRNB2 (0.56) MAPK8KDM4ELMNACHRNB2CHRNB4
SCHEMBL27697741 0.86 KDM4E (0.57) MAPK8KDM4ELMNACHRNB2CHRNB4
SCHEMBL5032590 0.84 NR3C2 (0.57) MAPK8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6361201 0.84 CHRNB2 (0.53) MAPK8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30106114 0.83 KDM4E (0.58) MAPK8KDM4ELMNACHRNB2CHRNB4
SCHEMBL821844 0.82 KDM4E (0.71) MAPK8KDM4ELMNASMN1; SMN2RAB9A
SCHEMBL4171284 0.81 CHRNB2 (0.51) MAPK8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL91504 0.81 CHRNB2 (0.54) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10083508 0.81 CHRNB2 (0.51) MAPK8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10082485 0.80 CHRNB2 (0.50) MAPK8CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors PHARMASUM THERAPEUTICS AS (NO) 2021-02-23 US disclosed
US-20180086750-A1 NOVEL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY KARUS THERAPEUTICS LIMITED (GB) 2018-03-29 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
WO-2010086646-A1 SCRIPTAID ISOSTERES AND THEIR USE IN THERAPY KARUS THERAPEUTICS LIMITED (GB) 2010-08-05 WO disclosed
WO-2009141659-A1 DEPSIPEPTIDES AND THEIR THERAPEUTIC USE KARUS THERAPEUTICS LIMITED (GB) 2009-11-26 WO disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 US disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 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 (5 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-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors DYRK1A, DYRK1B, PDK2 MAPK8 1163/4885KDM4E 984/4885LMNA 4785/4885
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAPK8 253/4885KDM4E 2722/4885LMNA 3593/4885
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 MAPK8 307/4885KDM4E 2666/4885LMNA 2540/4885
US-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B MAPK8 4113/4885KDM4E 2670/4885LMNA 713/4885
US-20180086750-A1 NOVEL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY HDAC1, HDAC5, HDAC7 MAPK8 2379/4885KDM4E 128/4885LMNA 2194/4885

“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.