SCHEMBL18367381

SCHEMBL18367381

COC(=O)c1cn(Cc2ccccc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
RBP4 P02753 1/20 0.51
KLKB1 P03952 2/20 0.50
KDM5A P29375 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
GRM2 Q14416 1/20 0.47
RIPK1 Q13546 2/20 0.47
USP30 Q70CQ3 1/20 0.47
SCD O00767 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL9248509 0.86 LMNA (0.60) CDK5CDK5R1RBP4KLKB1KDM5A
SCHEMBL4735220 0.85 RBP4 (0.51) CDK5CDK5R1RBP4KLKB1KDM5A
SCHEMBL10567713 0.83 MEN1 (0.60) RBP4KDM4CMEN1KMT2ASMN1; SMN2
SCHEMBL16690901 0.83 RBP4 (0.54) CDK5CDK5R1RBP4KLKB1KDM5A
SCHEMBL3688462 0.83 KDM4C (0.57) CDK5CDK5R1RBP4KLKB1KDM5A
SCHEMBL18377475 0.82 KLKB1 (0.56) CDK5CDK5R1RBP4KLKB1KDM5A
SCHEMBL554255 0.82 KLKB1 (0.56) CDK5CDK5R1KLKB1GRM2MEN1
SCHEMBL10571866 0.82 MEN1 (0.46) KLKB1KDM5AKDM4CKDM5BGRM2
SCHEMBL24094049 0.82 KLKB1 (0.55) CDK5CDK5R1RBP4KLKB1KDM5A
SCHEMBL1775282 0.81 HMOX1 (0.46) GRM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed
US-20230104200-A1 IMIDAZOLIUM REAGENT FOR MASS SPECTROMETRY ROCHE DIAGNOSTICS GMBH (DE) 2023-04-06 US disclosed
EP-4153572-A1 IMIDAZOLIUM REAGENT FOR MASS SPECTROMETRY F. Hoffmann-La Roche AG (CH) 2023-03-29 EP disclosed
CN-115667223-A Imidazolium reagents for mass spectrometry 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
CN-112979660-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-06-18 CN disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
CN-107849023-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-03-23 CN disclosed
CN-111269221-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2020-06-12 CN disclosed
CN-107849023-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2018-03-27 CN disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 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 (3 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-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 CDK5 3073/4885CDK5R1 1200/4885RBP4 4866/4885
US-20230104200-A1 IMIDAZOLIUM REAGENT FOR MASS SPECTROMETRY SRMS, IPO4, PTMS CDK5 522/4885CDK5R1 1157/4885RBP4 1615/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 CDK5 3073/4885CDK5R1 1200/4885RBP4 4866/4885

“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.