SCHEMBL16060658

SCHEMBL16060658

COc1cccc(Cc2cnc(N)s2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
DHFR P00374 1/20 0.54
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.50
TAAR1 Q96RJ0 3/20 0.49
TSHR P16473 1/20 0.48
SCD O00767 1/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL29442802 1.00 POLB (0.69) POLBDHFRLTA4HEPHX2TAAR1
SCHEMBL31063674 0.83 POLB (0.51) POLBDHFREPHX2TSHRSCD
SCHEMBL34467558 0.83 POLB (0.51) POLBDHFRLTA4HEPHX2TAAR1
SCHEMBL3138985 0.82 POLB (1.00) POLBLTA4HEPHX2TSHRMEN1
SCHEMBL3144357 0.81 EPHX2 (0.54) POLBLTA4HEPHX2TAAR1TSHR
SCHEMBL16060028 0.79 MTNR1A (0.47) POLBDHFRTAAR1SCDIDO1
SCHEMBL29442801 0.78 LMNA (0.56) POLBEPHX2TSHRMEN1KMT2A
SCHEMBL965932 0.78 EPHX2 (0.54) POLBEPHX2TAAR1TSHRSCD
SCHEMBL234063 0.78 LMNA (0.56) POLBEPHX2TSHRMEN1KMT2A
SCHEMBL34467564 0.78 EPHX2 (0.54) POLBDHFREPHX2TAAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 US disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
EP-3768269-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-01-27 EP disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
US-20160046616-A1 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2016-02-18 US disclosed
WO-2014145642-A9 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-13 WO disclosed
WO-2014145642-A2 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 WO disclosed
US-8580763-B2 2, 6-dinitrogen-containing substituted purine derivatives, the preparation and uses thereof ZHANGGUI WU (CN) 2013-11-12 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 (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-20160046616-A1 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY NFE2L2, KEAP1, GSTK1 POLB 932/4885DHFR 1216/4885LTA4H 3241/4885
US-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 POLB 3273/4885DHFR 85/4885LTA4H 1300/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 POLB 3788/4885DHFR 174/4885LTA4H 521/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 POLB 3788/4885DHFR 174/4885LTA4H 521/4885

“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.