SCHEMBL823836

SCHEMBL823836

CN(C)CCN(C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL19248308 0.91 CA12 (0.38) CA12CA2CA3CA4CA6
SCHEMBL15471203 0.89 KDM4E (0.38) HTR1ADRD2HTR2AHTR7KDM4E
SCHEMBL99319 0.81 ALDH1A1 (0.47) CA12CA2CA3CA4CA6
SCHEMBL12559211 0.80 CA12 (0.44) CA12CA2CA3CA4CA6
SCHEMBL29580396 0.80 CA12 (0.44) CA12CA2CA3CA4CA6
SCHEMBL27417064 0.80 KDM4E (0.34) KDM4EATM
SCHEMBL6656623 0.78
SCHEMBL25928873 0.76 ALDH1A1 (0.32) ALDH1A1TSHRKDM4EATM
SCHEMBL12619778 0.76 ALDH1A1 (0.39) ALDH1A1TSHRKDM4EATMDNM1
SCHEMBL24484928 0.75 KDM4E (0.32) KDM4EATM

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 201 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834454-B2 Alkynylphenylbenzamide compounds and applications thereof SHENZHEN NEWDEL BIOTECH CO., LTD. (CN) 2023-12-05 US disclosed
US-11834454-B2 Alkynylphenylbenzamide compounds and applications thereof SHENZHEN NEWDEL BIOTECH CO., LTD. (CN) 2023-12-05 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
US-20230348487-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF GUANGZHOU SALUSTIER BIOSCIENCES CO., LTD. (CN) 2023-11-02 US disclosed
US-20230348487-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF GUANGZHOU SALUSTIER BIOSCIENCES CO., LTD. (CN) 2023-11-02 US disclosed
US-20230322822-A1 ARYL PHOSPHOROUS OXIDE COMPOUNDS AND USE THEREOF CHENGDU DI'AO JIUHONG PHARMACEUTICAL FACTORY (CN) 2023-10-12 US disclosed
US-20230322822-A1 ARYL PHOSPHOROUS OXIDE COMPOUNDS AND USE THEREOF CHENGDU DI'AO JIUHONG PHARMACEUTICAL FACTORY (CN) 2023-10-12 US disclosed
US-7247641-B2 Compounds, derivatives, compositions, preparation and uses MGI GP, INC. (US) 2007-07-24 US disclosed
US-7247641-B2 Compounds, derivatives, compositions, preparation and uses MGI GP, INC. (US) 2007-07-24 US disclosed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-7220745-B2 Heterocyclic compounds useful to treat HCV RIGEL PHARMACEUTICALS (US) 2007-05-22 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 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 (7 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-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 CA12 4587/4885CA2 3774/4885CA3 4875/4885
US-20070021406-A1 New neurokinin antagonists for use as medicaments NPSR1, HRH4, OPRL1 CA12 2318/4885CA2 2756/4885CA3 2134/4885
US-20230322822-A1 ARYL PHOSPHOROUS OXIDE COMPOUNDS AND USE THEREOF ALK, EGFR, ROS1 CA12 3690/4885CA2 769/4885CA3 3300/4885
US-11834454-B2 Alkynylphenylbenzamide compounds and applications thereof ALK, NTRK1, ERBB2 CA12 4301/4885CA2 2166/4885CA3 4700/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF CA12 3195/4885CA2 1461/4885CA3 2258/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK CA12 4864/4885CA2 1789/4885CA3 4344/4885
US-20230348487-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF JAK3, JAK2, JAK1 CA12 4072/4885CA2 3016/4885CA3 3329/4885

“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.