SCHEMBL10314907

SCHEMBL10314907

CCc1cnc(C#N)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2A6 P11509 1/20 0.35
CHEK1 O14757 6/20 0.33
PARP1 P09874 1/20 0.33
PGK1 P00558 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
HTT P42858 3/20 0.31
BCAT1 P54687 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
S100A9 P06702 1/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
OPRK1 P41145 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
S1PR4 O95977 1/20 0.31

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
SCHEMBL1008889 0.83 POLB (0.42) ALDH1A1POLBKDM4ETDP1HTT
SCHEMBL335184 0.81 ALDH1A1 (0.41) ALDH1A1POLBKDM4ECHEK1TDP1
SCHEMBL16879533 0.81 ALDH1A1 (0.41) ALDH1A1POLBKDM4EHTTBCAT1
SCHEMBL1010296 0.81 KDM4E (0.41) ALDH1A1POLBKDM4ETDP1HTT
SCHEMBL361012 0.81 KDM4E (0.38) ALDH1A1POLBKDM4ECHEK1TDP1
SCHEMBL22713562 0.81 KDM4E (0.38) ALDH1A1POLBKDM4ECHEK1HPGD
SCHEMBL12524698 0.79 CYP2A6 (0.36) ALDH1A1POLBKDM4ECYP2A6PARP1
SCHEMBL12763611 0.78 EGLN2 (0.38) ALDH1A1POLBKDM4ECYP2A6PARP1
SCHEMBL11942559 0.78 CYP2A6 (0.35) ALDH1A1POLBKDM4ECYP2A6PARP1
SCHEMBL22561720 0.77 KDM4E (0.38) ALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor ARVINAS OPERATIONS, INC. (US) 2022-02-01 US disclosed
US-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2021-02-25 US disclosed
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2021-01-14 US disclosed
EP-3736277-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS Lupin Limited (IN) 2020-11-11 EP disclosed
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2018-08-02 US disclosed
US-8853237-B2 Naphthyridinone analogs as mGluR5 positive allosteric modulators VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
US-20120172391-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-07-05 US disclosed
US-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors ELI LILLY AND COMPANY 2009-03-12 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 (7 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-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 ALDH1A1 3671/4885POLB 4089/4885KDM4E 1613/4885
US-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO ALDH1A1 1217/4885POLB 4814/4885KDM4E 2530/4885
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN ALDH1A1 798/4885POLB 3138/4885KDM4E 706/4885
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors PGR, NPSR1, PRLHR ALDH1A1 837/4885POLB 4449/4885KDM4E 2564/4885
US-20120172391-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS GRM5, GRIK5, GRM1 ALDH1A1 4461/4885POLB 3588/4885KDM4E 1220/4885
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN ALDH1A1 798/4885POLB 3138/4885KDM4E 706/4885
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 ALDH1A1 3671/4885POLB 4089/4885KDM4E 1613/4885

“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.