SCHEMBL24960646

SCHEMBL24960646

COc1cc2c(cc1N)CCCN2C(=O)CN1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
BRD4 O60885 3/20 0.43
PLK1 P53350 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 2/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
HTT P42858 1/20 0.40
BIRC2 Q13490 1/20 0.40
IGF1R P08069 1/20 0.39
MAPK8 P45983 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
SCHEMBL2205214 0.88 ALDH1A1 (0.50) ALDH1A1MAPK1KMT2AMEN1BRD4
SCHEMBL2207626 0.87 ALDH1A1 (0.49) ALDH1A1MAPK1KMT2AMEN1BRD4
SCHEMBL13942505 0.82 KMT2A (0.47) KMT2ABRD4PLK1LMNADRD2
SCHEMBL2206927 0.82 KMT2A (0.47) ALDH1A1KMT2ABRD4PLK1KDM4E
SCHEMBL24960728 0.80 CHRM2 (0.49) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL2205689 0.78 IGF1R (0.48) KMT2ABRD4PLK1LMNADRD2
SCHEMBL2206556 0.77 IGF1R (0.47) ALDH1A1KMT2AMEN1BRD4PLK1
SCHEMBL24960657 0.77 REN (0.39) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL2206864 0.77 IGF1R (0.49) ALDH1A1KMT2AMEN1PLK1LMNA
SCHEMBL24960644 0.76 MEN1 (0.50) ALDH1A1MAPK1KMT2AMEN1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026840-A1 COMPOUND USED AS EGFR KINASE INHIBITOR AND USE THEREOF TYK MEDICINES, INC. (CN) 2023-01-26 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-20230026840-A1 COMPOUND USED AS EGFR KINASE INHIBITOR AND USE THEREOF EGFR, ERBB2, ERBB4 ALDH1A1 3668/4885MAPK1 54/4885KMT2A 2376/4885

“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.