SCHEMBL15748608

SCHEMBL15748608

Cc1nnc(C)c2c1CCCCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PKM P14618 1/20 0.32
HTT P42858 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 2/20 0.31
ATM Q13315 2/20 0.31
ACHE P22303 1/20 0.31
PARP1 P09874 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
SCHEMBL24574681 0.97 KDM4E (0.41) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL17190473 0.85 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL24925897 0.82 HTT (0.39) KDM4EALDH1A1POLBPKMHTT
SCHEMBL21553936 0.76 PTGS2 (0.44) ALDH1A1HPGD
SCHEMBL25795858 0.75 KDM4E (0.41) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL24925896 0.73 GAA (0.38) KDM4EALDH1A1POLBHTTHPGD
SCHEMBL22815305 0.71 TSHR (0.36)
SCHEMBL21140438 0.71 DRD4 (0.32) KDM4ENOS3NOS1NOS2
SCHEMBL25771775 0.71 DRD4 (0.32) KDM4ENOS3NOS1NOS2
SCHEMBL25795855 0.71 DRD4 (0.32) KDM4ENOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983020-B1 AGENTS FOR CLEAVING LABELS FROM BIOMOLECULES IN VIVO TAGWORKS PHARMACEUTICALS B V (NL) 2024-06-26 EP disclosed
EP-3788032-B1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY TAGWORKS PHARMACEUTICALS B V (NL) 2024-01-24 EP disclosed
EP-4245744-A2 CHEMICALLY CLEAVABLE GROUP Tagworks Pharmaceuticals B.V. (NL) 2023-09-20 EP disclosed
EP-2922574-B1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B V (NL) 2023-05-17 EP disclosed
US-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-04-20 US disclosed
US-20210308207-A1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-10-07 US disclosed
US-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 US disclosed
US-10927139-B2 Chemically cleavable group TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-02-23 US disclosed
US-20210002320-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-01-07 US disclosed
WO-2020256546-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE TAGWORKS PHARMACEUTICALS B.V. (NL) 2020-12-24 WO disclosed
WO-2020256544-A1 TETRAZINES FOR HIGH CLICK RELEASE SPEED AND YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2020-12-24 WO disclosed
WO-2020256545-A1 AGENTS FOR CLEAVING LABELS FROM BIOMOLECULES IN VIVO TAGWORKS PHARMACEUTICALS B.V. (NL) 2020-12-24 WO disclosed
US-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2017-05-25 US disclosed
US-9421274-B2 Bio-orthogonal drug activation KONINKLIJKE PHILIPS N.V. (NL) 2016-08-23 US disclosed
US-20160106859-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2016-04-21 US disclosed
US-20150344514-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-12-03 US disclosed
US-20150344514-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-12-03 US disclosed
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-10-22 US disclosed
WO-2014081301-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2014-05-30 WO disclosed
WO-2014081303-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2014-05-30 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 (9 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-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS KDM4E 1403/4885ALDH1A1 935/4885POLB 2540/4885
US-20210002320-A1 CHEMICALLY CLEAVABLE GROUP SQLE, CTRL, ENO1 KDM4E 4285/4885ALDH1A1 718/4885POLB 1691/4885
US-20150344514-A1 CHEMICALLY CLEAVABLE GROUP SQLE, CTRL, ENO1 KDM4E 4100/4885ALDH1A1 780/4885POLB 1630/4885
US-10927139-B2 Chemically cleavable group SQLE, CTRL, ENO1 KDM4E 4100/4885ALDH1A1 780/4885POLB 1630/4885
US-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE LTB4R, LTC4S, LTA4H KDM4E 1583/4885ALDH1A1 879/4885POLB 3205/4885
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION KIT, JMJD7, TPSB2 KDM4E 2952/4885ALDH1A1 1711/4885POLB 2718/4885
US-20160106859-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS KDM4E 1403/4885ALDH1A1 935/4885POLB 2540/4885
US-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD FCER2, SQLE, TTL KDM4E 3967/4885ALDH1A1 1600/4885POLB 4302/4885
US-20210308207-A1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY VIP, PIN1, QPCT KDM4E 4319/4885ALDH1A1 4815/4885POLB 3563/4885

“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.