SCHEMBL30320753

SCHEMBL30320753

Cc1cn(-c2ncc(C(=O)O)cn2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.42
FABP4 P15090 2/20 0.42
RORC P51449 6/20 0.40
CYP2C9 P11712 1/20 0.40
TFPI2 P48307 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
ALKBH1 Q13686 2/20 0.38
SCN2B O60939 1/20 0.38
SCN1A P35498 1/20 0.38
SCN1B Q07699 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL28419807 0.78 SLC6A2 (0.45) MEN1KMT2AKDM4E
SCHEMBL6840222 0.78 RORC (0.60) MEN1KMT2AKDM4ERORCCYP2C9
SCHEMBL24930901 0.75 ALDH1A1 (0.49) MEN1KMT2AKDM4ERORC
SCHEMBL31097642 0.74 HTT (0.50) KDM4ERORCCYP2C9SLC22A12ALKBH1
SCHEMBL25372637 0.74 HTT (0.50) KDM4ERORCCYP2C9SLC22A12ALKBH1
SCHEMBL3678410 0.70 HTR3A (0.51) KDM4ERORCCYP2C9SLC22A12
SCHEMBL17373146 0.70 POLB (0.50) MEN1KMT2AKDM4E
SCHEMBL1881442 0.69 NR4A2 (0.51) MEN1KMT2AKDM4EFABP4RORC
SCHEMBL6840201 0.68 SCN2B (0.68) KDM4ERORCCYP2C9SLC22A12SCN2B
SCHEMBL19180068 0.67 NR4A2 (0.50) MEN1KMT2AKDM4EFABP4RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958850-B2 Heteroaryl compounds for kinase inhibition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-04-16 US disclosed
US-20230102829-A1 Heteroaryl Compounds For Kinase Inhibition ARIAD PHARMACEUTICALS, INC. 2023-03-30 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 (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-11958850-B2 Heteroaryl compounds for kinase inhibition ERBB2, EGFR, ERBB3 MEN1 3224/4885KMT2A 1587/4885KDM4E 3491/4885
US-20230102829-A1 Heteroaryl Compounds For Kinase Inhibition ERBB2, EGFR, ERBB3 MEN1 3224/4885KMT2A 1587/4885KDM4E 3491/4885

“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.