SCHEMBL24828488

SCHEMBL24828488

Cc1nn(CC2CC2)cc1Cn1nc(Cl)cc1I

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.35
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL24828312 0.77 CSF1R (0.35) CRHR1KMT2A
SCHEMBL30190161 0.75 CRHR1 (0.37) CRHR1ALPLALPIALPGKMT2A
SCHEMBL24828232 0.74 CRHR1 (0.37) CRHR1KMT2APOLBLMNASMN1; SMN2
SCHEMBL14550285 0.73 L3MBTL1 (0.41) CRHR1KMT2APOLBLMNASMN1; SMN2
SCHEMBL24828231 0.71 SMN1; SMN2 (0.37) CRHR1KMT2APOLBLMNASMN1; SMN2
SCHEMBL24007251 0.71 CRHR1 (0.36) CRHR1KMT2APOLBLMNALRRK2
SCHEMBL24828656 0.70 LMNA (0.32) CRHR1LMNA
SCHEMBL25108519 0.68 KMT2A (0.33) CRHR1KMT2ALMNASMN1; SMN2
SCHEMBL24828521 0.68 CRHR1 (0.30) CRHR1
SCHEMBL24828390 0.68 LRRK2 (0.35) CRHR1LRRK2

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-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-01-03 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-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 CRHR1 2547/4885ALPL 2719/4885ALPI 814/4885

“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.