SCHEMBL22939631

SCHEMBL22939631

COC(=O)c1ccc(-c2nnc(C)nn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.57
▸ CA1 P00915 4/20 0.52
▸ CA2 P00918 4/20 0.52
▸ CA12 O43570 3/20 0.52
▸ CA9 Q16790 3/20 0.52
▸ CA14 Q9ULX7 3/20 0.52
▸ CA7 P43166 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ TSHR P16473 1/20 0.48
▸ SETD7 Q8WTS6 1/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ RXFP1 Q9HBX9 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
SCHEMBL25439893 0.85 TSHR (0.64) TDP1CA1CA2CA12CA9
SCHEMBL25439882 0.81 MAPT (0.56) TDP1CA1CA2CA12CA9
SCHEMBL25439823 0.81 LOXL2 (0.54) TDP1CA1CA2CA12CA9
SCHEMBL25440037 0.81 TSHR (0.48) TDP1CA1CA2CA12CA9
SCHEMBL19387238 0.80 CA1 (0.70) TDP1CA1CA2CA12CA9
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.80 CA1 (0.70) TDP1CA1CA2CA12CA9
SCHEMBL15659005 0.79 SMN1; SMN2 (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A
Biphenyl Dimethyl Dicarboxylate SCHEMBL2890577 0.78 CA1 (0.67) TDP1CA1CA2CA12CA9
SCHEMBL17791779 0.77 MKNK1 (0.49) CA1CA2CA12CA9CA14
SCHEMBL23478712 0.77 RXRA (0.50) ALDH1A1KDM4ELMNAGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868038-B Compound, photoresist composition comprising the same, photoresist pattern comprising the same, and method for manufacturing the photoresist pattern 株式会社LG化学 2024-03-12 — — CN disclosed
US-11834419-B2 Compound, photoresist composition comprising same, photoresist pattern comprising same, and method for manufacturing photoresist pattern LG CHEM, LTD. (KR) 2023-12-05 — — US disclosed
US-11834419-B2 Compound, photoresist composition comprising same, photoresist pattern comprising same, and method for manufacturing photoresist pattern LG CHEM, LTD. (KR) 2023-12-05 — — US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 — — US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 — — US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 — — US disclosed
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS UNIVERSITY OF DELAWARE (US) 2022-04-07 — — US disclosed
US-20210032208-A1 COMPOUND, PHOTORESIST COMPOSITION COMPRISING SAME, PHOTORESIST PATTERN COMPRISING SAME, AND METHOD FOR MANUFACTURING PHOTORESIST PATTERN LG CHEM, LTD. (KR) 2021-02-04 — — US disclosed
CN-111868038-A Compound, photoresist composition comprising the same, photoresist pattern comprising the same, and method for manufacturing photoresist pattern 株式会社LG化学 2020-10-30 — — CN 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-20210032208-A1 COMPOUND, PHOTORESIST COMPOSITION COMPRISING SAME, PHOTORESIST PATTERN COMPRISING SAME, AND METHOD FOR MANUFACTURING PHOTORESIST PATTERN PPOX, SETD7, CRY1 TDP1 3630/4885CA1 4714/4885CA2 4739/4885
US-11834419-B2 Compound, photoresist composition comprising same, photoresist pattern comprising same, and method for manufacturing photoresist pattern PPOX, SETD7, CRY1 TDP1 3630/4885CA1 4714/4885CA2 4739/4885
US-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 TDP1 1963/4885CA1 504/4885CA2 2171/4885
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS TST, CYP4F8, CYP4Z1 TDP1 1963/4885CA1 504/4885CA2 2171/4885

“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.

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