SCHEMBL13209488

SCHEMBL13209488

Cc1cc2ccn(C)c2cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.52
CYP2A6 P11509 2/20 0.47
PIK3CB P42338 1/20 0.47
PKM P14618 2/20 0.44
HSD11B1 P28845 1/20 0.42
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2C P28335 2/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
HTR2B P41595 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL18683804 0.85 PRKCI (0.60) PRKCICYP2A6PIK3CBPKMHSD11B1
SCHEMBL3339367 0.83 PRKCI (0.55) PRKCICYP2A6PIK3CBPKMHSD11B1
SCHEMBL31035982 0.83 PRKCI (0.55) PRKCICYP2A6PIK3CBPKMHSD11B1
SCHEMBL18876201 0.83 PRKCI (0.50) PRKCICYP2A6PIK3CBPKMHSD11B1
SCHEMBL18014680 0.83 PRKCI (0.46) PRKCICYP2A6PIK3CBPKMHSD11B1
SCHEMBL17827631 0.83 PRKCI (0.46) PRKCICYP2A6PIK3CBPKMHSD11B1
SCHEMBL15730252 0.83 PRKCI (0.46) PRKCICYP2A6PIK3CBPKMHSD11B1
SCHEMBL18239894 0.83 PRKCI (0.46) PRKCICYP2A6PIK3CBPKMHSD11B1
SCHEMBL26569894 0.82 PRKCI (0.58) PRKCICYP2A6PIK3CBPKMHSD11B1
SCHEMBL19559075 0.80 TUBB4A (0.46) PRKCICYP2A6PIK3CBNOTUMTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753421-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-09-12 US disclosed
EP-3656769-B1 ARYL-PHOSPHORUS-OXYGEN COMPOUND AS EGFR KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2023-01-25 EP disclosed
WO-2021254493-A1 CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2021-12-23 WO disclosed
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
US-20200207768-A1 Aryl-Phosphorus-Oxygen Compound As EGFR Kinase Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-02 US disclosed
US-20200165519-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND RETARDATION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-28 US disclosed
EP-3656769-A1 ARYL-PHOSPHORUS-OXYGEN COMPOUND AS EGFR KINASE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-05-27 EP disclosed
US-20190276744-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-12 US disclosed
US-10407619-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-10 US disclosed
US-20180057514-A1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-03-01 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 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 (9 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-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PRKCI 54/4885CYP2A6 3894/4885PIK3CB 563/4885
US-20180057514-A1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS TEC, AURKA, TYR PRKCI 4232/4885CYP2A6 1097/4885PIK3CB 1748/4885
US-11753421-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 PRKCI 3762/4885CYP2A6 2952/4885PIK3CB 1459/4885
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 PRKCI 2788/4885CYP2A6 2642/4885PIK3CB 1933/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PRKCI 3386/4885CYP2A6 1207/4885PIK3CB 1256/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PRKCI 3386/4885CYP2A6 1207/4885PIK3CB 1256/4885
US-20200207768-A1 Aryl-Phosphorus-Oxygen Compound As EGFR Kinase Inhibitor EGFR, ERBB2, ERBB3 PRKCI 344/4885CYP2A6 659/4885PIK3CB 29/4885
US-10407619-B2 Liquid crystal composition RCC1, CCDC47, ACIN1 PRKCI 1123/4885CYP2A6 3817/4885PIK3CB 752/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS PRKCI 213/4885CYP2A6 4567/4885PIK3CB 317/4885

“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.