SCHEMBL30745950

SCHEMBL30745950

Cn1ccc(-c2nc(-c3ccccc3)nc3c2CCC(N)C3)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
IRAK1 P51617 2/20 0.34
TOP2A P11388 1/20 0.34
PTGS1 P23219 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL25343364 1.00 KMT2A (0.41) KMT2AIRAK1TOP2APTGS1NPC1
SCHEMBL30613816 0.91 KMT2A (0.41) KMT2AIRAK1TOP2APTGS1ADORA3
SCHEMBL25343406 0.91 KMT2A (0.41) KMT2AIRAK1TOP2APTGS1ADORA3
Hydrochloric Acid SCHEMBL25429470 0.90 KMT2A (0.40) KMT2AIRAK1TOP2APTGS1ADORA3
SCHEMBL27013395 0.81 LMNA (0.49) KMT2A
SCHEMBL27013447 0.81 KMT2A (0.47) KMT2A
SCHEMBL27013389 0.81 KDM4E (0.43) KMT2ANPC1RAB9ANR1H2NR1H3
SCHEMBL25343082 0.80 KMT2A (0.36) KMT2AIRAK1IRAK4
SCHEMBL30613749 0.80 KMT2A (0.36) KMT2AIRAK1IRAK4
SCHEMBL30613800 0.78 MTNR1A (0.43) KMT2AADORA3ADORA1

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-12516064-B2 Tetrahydropyridopyrimidines and related analogs for inhibiting YAP/TAZ-TEAD SpringWorks Therapeutics Inc. (US) 2026-01-06 US disclosed
US-20240018148-A1 TETRAHYDROPYRIDOPYRIMIDINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-01-18 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-20240018148-A1 TETRAHYDROPYRIDOPYRIMIDINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD YAP1, TEAD2, TEAD1 KMT2A 2446/4885IRAK1 2701/4885TOP2A 1137/4885

“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.