SCHEMBL9901551

SCHEMBL9901551

CC(=C(C#N)C#N)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL13934120 0.73 TDP1 (0.33) TDP1
SCHEMBL16307982 0.73 TDP1 (0.33) TDP1
SCHEMBL444510 0.69 TDP1 (0.35) TDP1
SCHEMBL11940286 0.69
SCHEMBL11010131 0.67
SCHEMBL444507 0.67 KMT2A (0.36)
SCHEMBL9013075 0.67 ALDH1A1 (0.30)
SCHEMBL8049997 0.67
SCHEMBL8049996 0.67
SCHEMBL2454582 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553063-B1 COMPOUND AND ORGANIC SOLAR CELL COMPRISING SAME LG CHEMICAL LTD (KR) 2022-04-27 EP disclosed
US-10734131-B2 Organic transistor and gas sensor LG CHEM, LTD. (KR) 2020-08-04 US disclosed
US-20200066992-A1 PHOTOACTIVE LAYER AND ORGANIC SOLAR CELL COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-27 US disclosed
US-20190027701-A1 ORGANIC TRANSISTOR AND GAS SENSOR LG CHEM, LTD. (KR) 2019-01-24 US disclosed
CN-105237473-A 4,5,6-polyfunctionalized-2-amino nicotinonitrile derivative and preparation method thereof UNIV ZHEJIANG 2016-01-13 CN disclosed
US-9090633-B2 Substituted 4-(arylamino) selenophenopyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2015-07-28 US disclosed
EP-2648509-B1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) 2015-04-29 EP disclosed
US-20130287767-A1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2013-10-31 US disclosed
EP-2648509-A2 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) 2013-10-16 EP disclosed
WO-2012077135-A2 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2012-06-14 WO disclosed
US-4643758-A Herbicidal furyl-, thienyl- and pyrrolyl-2-pyrrolidinones ELI LILLY AND COMPANY (US) 1987-02-17 US disclosed
EP-0107366-A1 Pyrrolidinone analogs and precursors ELI LILLY AND COMPANY (US) 1984-05-02 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 (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-10734131-B2 Organic transistor and gas sensor OR10J3, OSBPL8, TPR TDP1 2984/4885
US-20190027701-A1 ORGANIC TRANSISTOR AND GAS SENSOR OR10J3, OSBPL8, TPR TDP1 2984/4885
US-20130287767-A1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF SELENOI, VHL, DPYD TDP1 2098/4885

“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.