SCHEMBL91446

SCHEMBL91446

Cc1cnc2[nH]cc(Br)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.47
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKCG P05129 1/20 0.39
INSR P06213 1/20 0.39
CDK1 P06493 1/20 0.39
FES P07332 1/20 0.39
IGF1R P08069 1/20 0.39
ROS1 P08922 1/20 0.39
FGFR1 P11362 1/20 0.39
PHKG2 P15735 1/20 0.39
FER P16591 1/20 0.39
FLT1 P17948 1/20 0.39
CDK2 P24941 1/20 0.39
MARK3 P27448 1/20 0.39
FLT4 P35916 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
SCHEMBL7921128 0.80 MET (0.46) AXLITKCYP3A4CYP2C9CYP2C19
SCHEMBL29928376 0.77 JAK2 (0.54) AXLPLK4AURKAJAK2ROCK2
SCHEMBL21902710 0.77 CYP2C19 (0.40) DYRK1ACYP3A4CYP2C9CYP2C19
SCHEMBL29605509 0.77 AXL (0.47) AXLPLK4AURKAJAK2ROCK2
SCHEMBL13199598 0.77 CYP3A4 (0.44) KDRFLT3CYP3A4CYP2C9CYP2C19
SCHEMBL91445 0.77 AXL (0.41) AXLJAK2ITKCYP3A4CYP2C9
SCHEMBL14678434 0.77 AXL (0.47) AXLPLK4AURKAJAK2ROCK2
SCHEMBL15154998 0.77 GSK3B (0.56) CDK2CYP3A4CYP2C9CYP2C19KIT
SCHEMBL1045946 0.77 BRD4 (0.54) AXLPLK4AURKAJAK2ROCK2
SCHEMBL31228005 0.77 BRD4 (0.54) AXLPLK4AURKAJAK2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
EP-4447954-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS Icahn School of Medicine at Mount Sinai (US) 2024-10-23 EP disclosed
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 US disclosed
US-20230416256-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARAMCEUTICA NV (BE) 2023-12-28 US disclosed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN disclosed
EP-4244224-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2023-09-20 EP disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
WO-2023116884-A1 CDK2 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-06-29 WO disclosed
WO-2023114472-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-06-22 WO disclosed
WO-2022104348-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2022-05-19 WO disclosed
WO-2021223736-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-11 WO disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 US disclosed
WO-2019023468-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2019-01-31 WO disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (6 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-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1A, PIP5K1B, PIP5K1C AXL 1942/4885PLK4 29/4885AURKA 52/4885
US-20230416256-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB AXL 4214/4885PLK4 221/4885AURKA 2698/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C AXL 1942/4885PLK4 29/4885AURKA 52/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS AXL 135/4885PLK4 846/4885AURKA 145/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS AXL 768/4885PLK4 611/4885AURKA 514/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 AXL 3225/4885PLK4 2263/4885AURKA 3003/4885

“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.