SCHEMBL9928532

SCHEMBL9928532

CC(C)c1ncc2occc2n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR1B P28222 3/20 0.32
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL12687213 0.75 DYRK1A (0.36) DYRK1A
SCHEMBL18238841 0.72
SCHEMBL18238819 0.72 BACE1 (0.34)
SCHEMBL2040956 0.71 DYRK1A (0.36) DYRK1A
SCHEMBL6112147 0.71 DYRK1A (0.36) DYRK1A
SCHEMBL4771419 0.71 DYRK1A (0.36) DYRK1A
SCHEMBL2977356 0.71 DYRK1A (0.36) DYRK1A
SCHEMBL2040833 0.71 DYRK1A (0.43) DYRK1AADORA2AADORA1
SCHEMBL22430373 0.70 DYRK1A (0.33) DYRK1AADORA2AADORA1
SCHEMBL7709496 0.69 DYRK1A (0.42) DYRK1AHTR2AHTR2CHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 US disclosed
US-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2021-08-17 US disclosed
EP-3838897-A2 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen TargetRx, Inc. (CN) 2021-06-23 EP disclosed
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2020-12-03 US disclosed
EP-3553056-A1 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen Targetrx, Inc. (CN) 2019-10-16 EP disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-8907086-B2 Fused bicyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP. (US) 2014-12-09 US disclosed
US-20130261140-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME CORP. 2013-10-03 US disclosed
WO-2012078448-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS SCHERING CORPORATION (US) 2012-06-14 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 (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-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity MAP2K2, MAP2K5, MAP2K4 DYRK1A 138/4885HTR2A 1888/4885HTR2C 1816/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT DYRK1A 1107/4885HTR2A 3908/4885HTR2C 4047/4885
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY MAP2K2, MAP2K4, MAP2K5 DYRK1A 135/4885HTR2A 1871/4885HTR2C 1835/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT DYRK1A 1107/4885HTR2A 3908/4885HTR2C 4047/4885
US-20130261140-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP7, DPP3 DYRK1A 4466/4885HTR2A 2148/4885HTR2C 1007/4885

“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.