SCHEMBL16247883

SCHEMBL16247883

Sc1ccnc2ccncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.39
NFATC1 O95644 1/20 0.39
CDK8 P49336 6/20 0.39
CCNC P24863 5/20 0.39
SLC22A12 Q96S37 2/20 0.39
NCF1 P14598 1/20 0.38
EGFR P00533 4/20 0.36
PIK3CA P42336 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK10 P53779 1/20 0.34
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL20726690 0.83 KDM4C (0.44) DYRK1ANFATC1NCF1EGFRPIK3CA
SCHEMBL134737 0.75 NCF1 (0.58) NCF1LOXL2KDM4EMAPTCYP1A2
SCHEMBL2008208 0.74 CCNC (0.39) DYRK1ANFATC1CDK8CCNCSLC22A12
SCHEMBL2879912 0.74 NCF1 (0.57) DYRK1ACDK8CCNCSLC22A12NCF1
SCHEMBL277030 0.74 SLC22A12 (0.42) DYRK1ANFATC1CDK8CCNCSLC22A12
SCHEMBL3147611 0.74 CCR1 (0.46) DYRK1ANFATC1CDK8CCNCSLC22A12
SCHEMBL277031 0.74 EP300 (0.47) DYRK1ANFATC1CDK8CCNCSLC22A12
SCHEMBL3147605 0.74 CCNC (0.39) DYRK1ANFATC1CDK8CCNCSLC22A12
SCHEMBL18574397 0.74 CCNC (0.39) DYRK1ANFATC1CDK8CCNCSLC22A12
SCHEMBL3577754 0.74 AXL (0.47) DYRK1ANFATC1CDK8CCNCSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067664-A1 Organic Compound, Light-Emitting Device, Display Device, Electronic Device, Light-Emitting Apparatus, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-02-29 US disclosed
EP-2998296-B1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2018-03-14 EP disclosed
EP-2998296-B1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2018-03-14 EP disclosed
US-9637484-B2 Cycloalkyl acid derivative, preparation method thereof, and pharmaceutical application thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-05-02 US disclosed
US-9637484-B2 Cycloalkyl acid derivative, preparation method thereof, and pharmaceutical application thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-05-02 US disclosed
US-9637484-B2 Cycloalkyl acid derivative, preparation method thereof, and pharmaceutical application thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-05-02 US disclosed
US-20160108035-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co., Lt.d (CN) 2016-04-21 US disclosed
US-20160108035-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co., Lt.d (CN) 2016-04-21 US disclosed
US-20160108035-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co., Lt.d (CN) 2016-04-21 US disclosed
CN-104470898-B Cycloalkyl formic acid analog derivative, its preparation method and in application pharmaceutically SHANGHAI HENGRUI PHARMACEUTICAL CO.,LTD. (CN) 2016-04-06 CN disclosed
EP-2998296-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2016-03-23 EP disclosed
EP-2998296-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2016-03-23 EP disclosed
CN-104470898-A Cycloalkyl Acid Derivative, Preparation Method Thereof, And Pharmaceutical Application Thereof SHANGHAI HENGRUI PHARM CO LTD 2015-03-25 CN disclosed
WO-2014183555-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF 上海恒瑞医药有限公司 (CN) 2014-11-20 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-20160108035-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF UGP2, MPST, KYAT1 DYRK1A 3823/4885NFATC1 3537/4885CDK8 3658/4885
US-20240067664-A1 Organic Compound, Light-Emitting Device, Display Device, Electronic Device, Light-Emitting Apparatus, and Lighting Device CCND1, CCND2, DRD1 DYRK1A 3498/4885NFATC1 4869/4885CDK8 1082/4885

“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.