SCHEMBL21750396

SCHEMBL21750396

COC(=O)c1ccc2cc(CC#N)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.49
LCK P06239 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.46
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
POLB P06746 1/20 0.43
PLAU P00749 2/20 0.43
CYP4A11 Q02928 2/20 0.43
MAPT P10636 2/20 0.42
DHODH Q02127 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL378575 0.84 LOXL2 (0.59) LOXL2CA1CA2CA12CA7
SCHEMBL12015399 0.82 PTPN11 (0.55) PTPN11LCKLOXL2CYP19A1CYP11B1
SCHEMBL40562 0.81 LOXL2 (0.64) LOXL2CYP4A11MAPTHTTCYP4F2
SCHEMBL14496874 0.81 PTPN11 (0.51) PTPN11LCKLOXL2CYP19A1CYP11B1
SCHEMBL29539688 0.81 LOXL2 (0.64) LOXL2CYP4A11MAPTHTTCYP4F2
SCHEMBL30369998 0.81 GRIN2D (0.51) DHODHKMT2A
SCHEMBL21750392 0.81 GRIN2D (0.51) DHODHKMT2A
SCHEMBL5776604 0.81 PTPN11 (0.54) PTPN11LCKLOXL2CYP19A1CYP11B1
SCHEMBL21694382 0.80 PTPN11 (0.50) PTPN11LCKCYP19A1CYP11B1CYP11B2
SCHEMBL30237946 0.80 PTPN11 (0.50) PTPN11LCKCYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2025-04-22 US disclosed
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-09-09 US disclosed
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-09-09 US disclosed
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-05-25 US disclosed
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-05-25 US disclosed
US-20200062728-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2020-02-27 US disclosed
US-20200062728-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2020-02-27 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 (4 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-20200062728-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 PTPN11 2657/4885LCK 680/4885LOXL2 2268/4885
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 PTPN11 2880/4885LCK 661/4885LOXL2 2135/4885
US-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 PTPN11 2880/4885LCK 661/4885LOXL2 2135/4885
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 PTPN11 2657/4885LCK 680/4885LOXL2 2268/4885

“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.