SCHEMBL15747950

SCHEMBL15747950

C1CCC(c2nnc(C3CCCCN3)nn2)NC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.37
CHRM5 P08912 5/20 0.35
CHRM3 P20309 5/20 0.35
CHRM2 P08172 5/20 0.35
CHRM1 P11229 4/20 0.35
CHRM4 P08173 4/20 0.35
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL17791781 0.92 CHRNB2 (0.44) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL22746304 0.82 CHRM2 (0.42) CYP2D6CYP2C19CHRNB2CHRNA7CHRNA4
SCHEMBL18884045 0.80 CHRNB2 (0.44) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL19689032 0.79 MEN1 (0.39) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL7474868 0.78 CHRNB2 (0.53) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL8100097 0.76 CHRNB2 (0.47) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL7241275 0.76 MEN1 (0.40) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL10816950 0.76 MEN1 (0.40) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL11114694 0.76 MEN1 (0.40) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL29274356 0.76 MEN1 (0.40) MEN1CYP2D6CYP2C19KMT2ACHRNB2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115386080-B Method for preparing polyether modified siloxane 江西蓝星星火有机硅有限公司 2023-09-19 CN claimed
US-11857636-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2024-01-02 US disclosed
US-11857636-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2024-01-02 US disclosed
EP-4245744-A2 CHEMICALLY CLEAVABLE GROUP Tagworks Pharmaceuticals B.V. (NL) 2023-09-20 EP disclosed
CN-115386080-B Method for preparing polyether modified siloxane 江西蓝星星火有机硅有限公司 2023-09-19 CN disclosed
EP-2922574-B1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B V (NL) 2023-05-17 EP disclosed
CN-115386080-A Method for preparing polyether modified siloxane 江西蓝星星火有机硅有限公司 2022-11-25 CN disclosed
EP-2709667-B1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B V (NL) 2022-04-13 EP disclosed
EP-3973993-A1 BIO-ORTHOGONAL DRUG ACTIVATION Tagworks Pharmaceuticals B.V. (NL) 2022-03-30 EP disclosed
EP-2709666-B1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS NV (NL) 2021-07-14 EP disclosed
US-20160106859-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2016-04-21 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
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-10-22 US disclosed
WO-2014081303-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2014-05-30 WO disclosed
WO-2014081301-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2014-05-30 WO disclosed
WO-2014081300-A1 CHANNEL PROTEIN ACTIVATABLE LIPOSOMES TAGWORKS PHARMACEUTICALS B.V. (NL) 2014-05-30 WO disclosed
WO-2014081299-A1 ACTIVATABLE LIPOSOMES 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 (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-20150344514-A1 CHEMICALLY CLEAVABLE GROUP SQLE, CTRL, ENO1 MEN1 565/4885CYP2D6 343/4885CYP2C19 331/4885
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION KIT, JMJD7, TPSB2 MEN1 1926/4885CYP2D6 65/4885CYP2C19 69/4885
US-11857636-B2 Bio-orthogonal drug activation JMJD7, KIT, PAICS MEN1 3386/4885CYP2D6 107/4885CYP2C19 351/4885
US-20160106859-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS MEN1 3386/4885CYP2D6 107/4885CYP2C19 351/4885

“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.