SCHEMBL3307114

SCHEMBL3307114

COc1c(Br)cc([N+](=O)[O-])c(N)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
G6PD P11413 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 1/20 0.45
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL17045501 0.87 GRIN2D (0.47) MAPTKDM4EMEN1G6PDPKM
SCHEMBL25367899 0.85 MAPT (0.46) MAPTKDM4EMEN1G6PDPKM
SCHEMBL30017403 0.80 TPMT (0.43) MAPTKDM4EMEN1G6PDPKM
SCHEMBL22595589 0.80 TPMT (0.43) MAPTKDM4EMEN1G6PDPKM
SCHEMBL17375027 0.79 GRIN2D (0.40) MAPTKDM4EMEN1G6PDPKM
SCHEMBL3306079 0.79 ALDH1A1 (0.53) MAPTKDM4EMEN1G6PDPKM
SCHEMBL25347181 0.77 GRIN2D (0.48) MAPTKDM4EMEN1G6PDPKM
SCHEMBL25002879 0.77 TDP1 (0.44) MAPTKDM4EMEN1G6PDPKM
SCHEMBL25240889 0.77 ALDH1A1 (0.41) MAPTKMT2AALDH1A1GRIN2DGRIN3B
SCHEMBL2133102 0.77 GRIN2D (0.43) MAPTKDM4EMEN1G6PDPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043420-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2024-02-08 US disclosed
EP-4225741-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES Enliven Therapeutics, Inc. (US) 2023-08-16 EP disclosed
CN-116438182-A 7-azaindole compounds for inhibiting BCR-ABL tyrosine kinase 活力疗法公司 2023-07-14 CN disclosed
WO-2022076973-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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 (2 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-20240043420-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR MAPT 4135/4885KDM4E 476/4885MEN1 4375/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT MAPT 2724/4885KDM4E 2516/4885MEN1 3449/4885

“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.