SCHEMBL19633043

SCHEMBL19633043

CC(C)(C)Nc1nc(C(=O)C(C)(C)C)cs1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM1A O60341 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ TMIGD3 P0DMS9 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ POLB P06746 1/20 0.35
▸ GFER P55789 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ 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
SCHEMBL18471674 0.84 L3MBTL1 (0.62) PIK3CGL3MBTL1CYP1A2CYP2C19KDM1A
SCHEMBL13594840 0.80 L3MBTL1 (0.41) L3MBTL1CYP1A2CYP2C19KDM1ASMN1; SMN2
SCHEMBL14805611 0.77 L3MBTL1 (0.41) PIK3CGL3MBTL1CYP1A2CYP2C19KDM1A
SCHEMBL19636638 0.76 PIK3CG (0.37) PIK3CGL3MBTL1KDM1ASMN1; SMN2NPC1
SCHEMBL13610825 0.74 TLR7 (0.45) SMN1; SMN2GAANPC1RAB9APOLB
SCHEMBL19636634 0.74 HRAS (0.36) PIK3CGL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL23896444 0.73 BTK (0.33) L3MBTL1SMN1; SMN2TMIGD3ADORA1NPC1
SCHEMBL19240720 0.73 L3MBTL1 (0.33) L3MBTL1SMN1; SMN2GAATMIGD3ADORA1
SCHEMBL15745603 0.73 ALDH1A1 (0.51) PIK3CGCYP1A2CYP2C19SMN1; SMN2GAA
SCHEMBL18307620 0.70 TLR7 (0.49) PIK3CGL3MBTL1SMN1; SMN2GAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 — — US disclosed
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 — — US disclosed
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof MERSANA THERAPEUTICS, INC. (US) 2020-05-26 — — US disclosed
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2019-03-07 — — US disclosed
US-20170369453-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2017-12-28 — — US disclosed
US-20170333442-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2017-11-23 — — 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 (5 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-20170333442-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B PIK3CG 3559/4885L3MBTL1 1321/4885CYP1A2 1753/4885
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B PIK3CG 3559/4885L3MBTL1 1321/4885CYP1A2 1753/4885
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 PIK3CG 1877/4885L3MBTL1 2025/4885CYP1A2 566/4885
US-20170369453-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B PIK3CG 3559/4885L3MBTL1 1321/4885CYP1A2 1753/4885
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B PIK3CG 3559/4885L3MBTL1 1321/4885CYP1A2 1753/4885

“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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