SCHEMBL1648463

SCHEMBL1648463

NC(=O)c1ccccc1-c1cccnn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.55
CSNK1A1 P48729 1/20 0.47
TYRO3 Q06418 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
GRM5 P41594 2/20 0.47
NUDT1 P36639 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PARP1 P09874 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
DHODH Q02127 1/20 0.40
METAP2 P50579 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL31227244 1.00 BCAT2 (0.55) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL4058072 0.84 DHODH (0.51) MAPTKDM4EALDH1A1TSHRNPC1
SCHEMBL7336250 0.84 HTR2C (0.38) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL8523177 0.81 BCAT2 (0.53) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL28603205 0.79 SLC6A3 (0.53) GRM5MAPTKDM4EALDH1A1TSHR
SCHEMBL997865 0.79 GRM5 (0.64) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL29506339 0.79 GRM5 (0.64) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL31249988 0.79 GRM5 (0.64) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL31249984 0.79 GRM5 (0.64) BCAT2CSNK1A1TYRO3DYRK1BGRM5
Hydrochloric Acid SCHEMBL28843225 0.77 GRM5 (0.62) BCAT2CSNK1A1TYRO3DYRK1BGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435957-A4 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMA (US) 2005-04-13 EP claimed
EP-1435957-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES Vertex Pharmaceuticals Incorporated (US) 2004-07-14 EP claimed
WO-2002088078-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3β PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 WO claimed
US-20240024314-A1 Methods of Treating Splenomegaly TELIOS PHARMA, INC. (US) 2024-01-25 US disclosed
US-11642343-B2 Methods of treating splenomegaly TELIOS PHARMA, INC. (US) 2023-05-09 US disclosed
US-20220387434-A1 COMBINATION OF A BTK INHIBITOR AND AN MDM2 INHIBITOR FOR CANCER TREATMENT QUOGUE IP HOLDINGS LLC (US) 2022-12-08 US disclosed
US-20220184069-A1 METHODS OF TREATING SPLENOMEGALY TELIOS PHARMA, INC. (US) 2022-06-16 US disclosed
WO-2021146424-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS INCYTE CORPORATION (US) 2021-07-22 WO disclosed
CN-109311902-A Substituted imidazo [1,2-b] pyridazine, substituted imidazo [1,5-b] pyridazine, related compound and their purposes in treatment medical disorder 溶酶体治疗股份有限公司 2019-02-05 CN disclosed
CN-109311902-A Substituted imidazo [1,2-b] pyridazine, substituted imidazo [1,5-b] pyridazine, related compound and their purposes in treatment medical disorder 溶酶体治疗股份有限公司 2019-02-05 CN disclosed
WO-2015057992-A1 BTK INHIBITORS FOR HEMATOPOIETIC MOBILIZATION IZUMI RAQUEL (US) 2015-04-23 WO disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 WO disclosed
WO-2003010153-A1 N-ALKYL-N-PHENYLHYDROXYLAMINE COMPOUNDS CONTAINING METAL CHELATING GROUPS, THEIR PREPARATION AND THEIR THERAPEUTIC USES SAMSUNG ELECTRONICS CO. LTD. (KR) 2003-02-06 WO disclosed
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
US-4411753-A Synthesis of 6-t-alkyl-3-pyridazinones ELI LILLY AND COMPANY (US) 1983-10-25 US disclosed
US-4398044-A Synthesis of acetyl-T-alkanes ELI LILLY AND COMPANY (US) 1983-08-09 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 (1 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-20220387434-A1 COMBINATION OF A BTK INHIBITOR AND AN MDM2 INHIBITOR FOR CANCER TREATMENT BTK, BCL9L, BCL9 BCAT2 639/4885CSNK1A1 830/4885TYRO3 252/4885

“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.