SCHEMBL4717366

SCHEMBL4717366

O=C(O)Nc1nnc(Br)s1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.41
DGAT1 O75907 1/20 0.40
ALDH1A1 P00352 4/20 0.40
CSNK2A1 P68400 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9740903 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL21222557 0.77 TP53 (0.66) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL8356753 0.77 TP53 (0.46) SMN1; SMN2MAPTTP53ALDH1A1GAA
SCHEMBL6992440 0.76 TP53 (0.40) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL4714870 0.74 RAB9A (0.69) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL4459490 0.74 HDAC1 (0.62) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL2442194 0.74 TP53 (0.47) SMN1; SMN2MAPTTP53ALDH1A1GAA
SCHEMBL2443550 0.72 TP53 (0.42) SMN1; SMN2MAPTTP53ALDH1A1CSNK2A1
SCHEMBL21562086 0.71 RAB9A (0.41) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL3786921 0.71 POLB (0.66) SMN1; SMN2MAPTRAB9ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11911372-B2 Compounds CTXT PTY LTD (AU) 2024-02-27 US disclosed
US-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20230061891-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2023-03-02 US disclosed
EP-4129987-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES Shanghai Hansoh Biomedical Co., Ltd. (CN) 2023-02-08 EP disclosed
US-20210355105-A1 REGULATOR OF NITROGEN-CONTAINING HETEROAROMATIC DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2021-11-18 US disclosed
US-11111229-B2 Tetrahydroquinoline compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2021-09-07 US disclosed
US-20210213004-A1 Compounds CTXT PTY LTD (AU) 2021-07-15 US disclosed
EP-3813813-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-05-05 EP disclosed
EP-3799872-A1 TETRAHYDROQUINOLINE DERIVATIVES FOR USE AS BET INHIBITORS Forma Therapeutics, Inc. (US) 2021-04-07 EP disclosed
EP-3071203-B1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-12-23 EP disclosed
US-20160256448-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 US disclosed
US-9388161-B2 Tetrahydroquinoline compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2016-07-12 US disclosed
US-20150232445-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2015-08-20 US disclosed
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
CN-1917879-A Pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2007-02-21 CN disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 WO disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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-20160256448-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 SMN1; SMN2 4712/4885MAPT 3708/4885RAB9A 1876/4885
US-20210355105-A1 REGULATOR OF NITROGEN-CONTAINING HETEROAROMATIC DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF PTPN11, PTPN1, PTPN7 SMN1; SMN2 2016/4885MAPT 3446/4885RAB9A 3860/4885
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 SMN1; SMN2 3209/4885MAPT 1508/4885RAB9A 4632/4885
US-11111229-B2 Tetrahydroquinoline compositions as BET bromodomain inhibitors BRD4, BRD3, BRD1 SMN1; SMN2 4712/4885MAPT 3708/4885RAB9A 1876/4885
US-20150232445-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 SMN1; SMN2 4712/4885MAPT 3708/4885RAB9A 1876/4885
US-20230061891-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 SMN1; SMN2 4712/4885MAPT 3708/4885RAB9A 1876/4885
US-20210213004-A1 Compounds SLC10A1, ABCB11, REN SMN1; SMN2 1164/4885MAPT 1236/4885RAB9A 323/4885
US-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES PTPN22, PTPN2, PTPN5 SMN1; SMN2 678/4885MAPT 975/4885RAB9A 2164/4885
US-11911372-B2 Compounds SLC10A1, ABCB11, REN SMN1; SMN2 1164/4885MAPT 1236/4885RAB9A 323/4885

“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.