SCHEMBL17623918

SCHEMBL17623918

Cc1cc(Oc2ccccc2)nc(C)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
MAPK1 P28482 4/20 0.67
CYP1A2 P05177 4/20 0.67
CYP2C19 P33261 4/20 0.67
CYP2C9 P11712 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
HPGD P15428 2/20 0.67
ATM Q13315 1/20 0.67
HTT P42858 3/20 0.65
TSHR P16473 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 4/20 0.48
NPC1 O15118 2/20 0.48
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
Propane SCHEMBL10921996 0.85 MAPT (0.51) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL17624252 0.84 MAPT (0.49) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL19325658 0.83 L3MBTL1 (0.51) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL17624254 0.83 L3MBTL1 (0.51) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL19322394 0.82 KMT2A (0.49) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL23010902 0.81 MAPT (0.63) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL11464394 0.81 NUDT1 (0.51) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL4528068 0.81 NPC1 (0.67) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL21186284 0.81 SMN1; SMN2 (0.54) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL446237 0.81 MAPT (0.63) MAPTMAPK1CYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 EP disclosed
WO-2019001572-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF 北京泰德制药股份有限公司 2019-01-03 WO disclosed
US-9920053-B2 N-(hetero)aryl-substituted heteroyclic derivatives useful for the treatment of diseases or conditions related to the central nervous system CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-20 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253592-A1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 WO disclosed
WO-2016042453-A1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 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 (2 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-20170253592-A1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM SLC6A3, SLC6A2, SLC6A19 MAPT 857/4885MAPK1 4089/4885CYP1A2 580/4885
US-20170253615-A1 Spirocyclic derivatives SLC6A3, SLC10A1, ABCB11 MAPT 2412/4885MAPK1 3322/4885CYP1A2 1115/4885

“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.