SCHEMBL31041019

SCHEMBL31041019

Fc1cc2[nH]ncc2c(Br)c1I

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.43
TDO2 P48775 2/20 0.43
NOS1 P29475 5/20 0.42
METAP2 P50579 6/20 0.38
AXL P30530 1/20 0.38
PTPN6 P29350 1/20 0.37
CYP1A2 P05177 2/20 0.35
DYRK1A Q13627 2/20 0.34
CSNK2A1 P68400 1/20 0.34
CDK2 P24941 3/20 0.33
FLT3 P36888 3/20 0.33
CCNA1 P78396 3/20 0.33
CCNT1 O60563 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNA2 P20248 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK9 P50750 2/20 0.33
MAP4K1 Q92918 1/20 0.32

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
SCHEMBL13692760 0.81 NOS1 (0.44) IDO1TDO2NOS1METAP2AXL
SCHEMBL29346432 0.80 IDO1 (0.44) IDO1TDO2NOS1METAP2AXL
SCHEMBL31127851 0.79 IDO1 (0.43) IDO1TDO2NOS1METAP2AXL
SCHEMBL30187208 0.79 IDO1 (0.43) IDO1TDO2NOS1METAP2AXL
SCHEMBL21379129 0.79 TDO2 (0.43) IDO1TDO2NOS1METAP2AXL
SCHEMBL25372564 0.79 IDO1 (0.43) IDO1TDO2NOS1METAP2AXL
SCHEMBL30641259 0.79 TDO2 (0.43) IDO1TDO2NOS1METAP2AXL
SCHEMBL21196002 0.79 IDO1 (0.43) IDO1TDO2NOS1METAP2AXL
SCHEMBL31642824 0.78 AXL (0.46) IDO1TDO2NOS1METAP2AXL
SCHEMBL30556597 0.76 IDO1 (0.41) IDO1TDO2NOS1METAP2AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570672-B2 Macrocyclic compounds and methods of use AMGEN INC. 2026-03-10 US disclosed
US-20250304599-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-10-02 US disclosed
US-20250236631-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-07-24 US disclosed
WO-2025106014-A1 COMPOUNDS AND METHODS FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2025-05-22 WO disclosed
US-20240294551-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2024-09-05 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-20250236631-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS IDO1 4752/4885TDO2 4864/4885NOS1 4841/4885
US-12570672-B2 Macrocyclic compounds and methods of use KRAS, NRAS, BRAF IDO1 4849/4885TDO2 4853/4885NOS1 4832/4885
US-20250304599-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS IDO1 4752/4885TDO2 4864/4885NOS1 4841/4885
US-20240294551-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS IDO1 4752/4885TDO2 4864/4885NOS1 4841/4885

“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.