SCHEMBL702107

SCHEMBL702107

CC(C)(C)c1cccc2[nH]nnc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
CA2 P00918 1/20 0.40
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AXL P30530 1/20 0.34
TRPA1 O75762 1/20 0.34
GRM4 Q14833 1/20 0.33
ATM Q13315 1/20 0.31
ALOX12 P18054 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
SCHEMBL8022804 0.86 AXL (0.49) KIF11ALDH1A1TDP1AXLTRPA1
SCHEMBL28473114 0.84 KIF11 (0.33) KIF11CA2AXL
SCHEMBL28360108 0.84 TRPA1 (0.42) KIF11CA2GABRA1GABRB2CYP3A4
SCHEMBL30027744 0.83 KIF11 (0.36) KIF11CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL28994959 0.83 KIF11 (0.33) KIF11
SCHEMBL6905689 0.82 AXL (0.33) KIF11AXL
SCHEMBL6067791 0.81 KIF11 (0.35) KIF11CA2CYP3A4CYP2C9CYP2C19
SCHEMBL28633628 0.81 KIF11 (0.35) KIF11CA2GABRA1GABRB2CYP3A4
SCHEMBL7143644 0.80 CA2 (0.47) KIF11CA2GABRA1GABRB2ALDH1A1
SCHEMBL28320385 0.80 KIF11 (0.31) KIF11

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-12264217-B2 Surface treatment film, manufacturing method therefor, and article DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2025-04-01 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230348654-A1 SURFACE TREATMENT FILM, MANUFACTURING METHOD THEREFOR, AND ARTICLE DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2023-11-02 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
EP-4194204-A1 SURFACE TREATMENT FILM, MANUFACTURING METHOD THEREFOR, AND ARTICLE DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2023-06-14 EP disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-11613618-B2 Porous body, and method for producing porous body EMAUS KYOTO, INC. (JP) 2023-03-28 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-20200115388-A1 IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-16 US disclosed
US-20200102296-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE SHANGPHARMA LLC 2020-04-02 US disclosed
US-10392376-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-08-27 US disclosed
US-20190016713-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2019-01-17 US disclosed
US-20150152088-A1 ALKYNYL HETEROAROMATIC COMPOUND AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-06-04 US disclosed
US-8123982-B2 Dithiocarbamates provide improvement over tolyltriazole in inhibiting yellow metal corrosion AKZO NOBEL N.V. (NL) 2012-02-28 US disclosed
US-20050211957-A1 Sulfur based corrosion inhibitors AKZO NOBEL N.V. (NL) 2005-09-29 US disclosed
EP-1580301-A1 Sulfur based corrosion inhibitors National Starch and Chemical Investment Holding Corporation (US) 2005-09-28 EP disclosed
EP-0258021-B1 METHOD OF INHIBITING THE CORROSION OF COPPER IN AQUEOUS SYSTEMS BETZ EUROPE, INC. (US) 1989-10-18 EP disclosed
EP-0258021-A1 Method of inhibiting the corrosion of copper in aqueous systems BETZ EUROPE, INC. (US) 1988-03-02 EP 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KIF11 2411/4885CA2 4029/4885GABRA1 764/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KIF11 2411/4885CA2 4029/4885GABRA1 764/4885
US-20150152088-A1 ALKYNYL HETEROAROMATIC COMPOUND AND USE THEREOF ALK, CYP3A43, ALKBH3 KIF11 4650/4885CA2 266/4885GABRA1 2260/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 KIF11 1229/4885CA2 3037/4885GABRA1 3287/4885
US-10392376-B2 Heterocyclic inhibitors of ATR kinase ATR, CHEK1, CHEK2 KIF11 2774/4885CA2 3533/4885GABRA1 3428/4885
US-20200115388-A1 IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 KIF11 2290/4885CA2 4621/4885GABRA1 1208/4885
US-20200102296-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 KIF11 2774/4885CA2 3533/4885GABRA1 3428/4885
US-20190016713-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 KIF11 2774/4885CA2 3533/4885GABRA1 3428/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KIF11 2411/4885CA2 4029/4885GABRA1 764/4885

“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.