SCHEMBL4097046

SCHEMBL4097046

COc1ncnc(C)c1Br

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EGFR P00533 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL30636105 1.00 PDPK1 (0.38) PDPK1TSHRALDH1A1MEN1KMT2A
SCHEMBL6510447 0.94 PDPK1 (0.35) PDPK1TSHRALDH1A1MEN1KMT2A
SCHEMBL4536423 0.85 PDPK1 (0.43) PDPK1TSHRALDH1A1MEN1KMT2A
SCHEMBL15688384 0.78 HPGD (0.48) TSHRMAPTHPGDRAB9ASMN1; SMN2
SCHEMBL2327689 0.77
SCHEMBL12051534 0.76 PDPK1 (0.41) PDPK1TSHRALDH1A1MEN1KMT2A
SCHEMBL24552572 0.76 PDPK1 (0.37) PDPK1TSHRALDH1A1MEN1KMT2A
SCHEMBL15334043 0.76 PDPK1 (0.37) PDPK1MAPTKDR
SCHEMBL22121979 0.76 ALDH1A1 (0.38) PDPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL30949999 0.76 PDPK1 (0.37) PDPK1TSHRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353853-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2025-11-20 US disclosed
US-20250236621-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2025-07-24 US disclosed
WO-2025092989-A1 SUBSTITUTED QUINAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMBINATION THEREOF, AND USE THEREOF 泰州红云制药有限公司 2025-05-08 WO disclosed
EP-4547336-A1 USP1 INHIBITORS AND USES THEREOF Zentaur Therapeutics USA Inc. (US) 2025-05-07 EP disclosed
CN-119836421-A USP1 inhibitors and uses thereof 森韬医药美国公司 2025-04-15 CN disclosed
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
CN-119630645-A Flavivirus inhibitors IRBM股份公司 2025-03-14 CN disclosed
US-12240846-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2025-03-04 US disclosed
CN-119019388-A 5-And 6-azaindole compounds for inhibiting Bcr-Abl tyrosine kinase 英莱汶公司 2024-11-26 CN disclosed
US-20240245682-A1 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. 2024-07-25 US disclosed
US-20150344490-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2015-12-03 US disclosed
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER (US) 2015-10-15 US disclosed
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER (US) 2015-10-15 US disclosed
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER (US) 2015-10-15 US disclosed
EP-2917219-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS Pfizer Inc. (US) 2015-09-16 EP disclosed
WO-2014072881-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2014-05-15 WO disclosed
WO-2014072881-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2014-05-15 WO disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 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 (8 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 PDPK1 104/4885TSHR 1650/4885ALDH1A1 3857/4885
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 PDPK1 610/4885TSHR 395/4885ALDH1A1 1063/4885
US-20150344490-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 PDPK1 610/4885TSHR 395/4885ALDH1A1 1063/4885
US-20240245682-A1 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF ITGB8, ITGAV, ITGA8 PDPK1 2247/4885TSHR 2304/4885ALDH1A1 1805/4885
US-20250236621-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR PDPK1 520/4885TSHR 3755/4885ALDH1A1 1397/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 PDPK1 104/4885TSHR 1650/4885ALDH1A1 3857/4885
US-20250353853-A1 FLAVIVIRUS INHIBITORS SPINT2, EIF2AK2, DDX5 PDPK1 3138/4885TSHR 4689/4885ALDH1A1 3259/4885
US-12240846-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ABL1, ABL2, BCR PDPK1 520/4885TSHR 3755/4885ALDH1A1 1397/4885

“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.