SCHEMBL22959029

SCHEMBL22959029

CCCC[C@H](COC(=O)C(C)C)Nc1nc(N)nc2c(C)cccc12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 9/20 0.55
▸ TLR7 Q9NYK1 6/20 0.49
▸ TLR8 Q9NR97 5/20 0.49
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL24384569 1.00 KCNH2 (0.55) KCNH2TLR7TLR8CYP2D6
SCHEMBL22958983 0.91 KCNH2 (0.56) KCNH2TLR7TLR8CYP2D6
SCHEMBL22819395 0.86 KCNH2 (0.39) KCNH2TLR7TLR8CYP2D6
SCHEMBL29601605 0.86 KCNH2 (0.39) KCNH2TLR7TLR8CYP2D6
SCHEMBL21325598 0.83 TLR8 (0.69) KCNH2TLR7TLR8CYP2D6
SCHEMBL24719004 0.83 TLR8 (0.69) KCNH2TLR7TLR8CYP2D6
SCHEMBL22825664 0.78 CA2 (0.36) KCNH2TLR7TLR8
SCHEMBL28691699 0.77 CYP2D6 (0.65) KCNH2TLR7TLR8CYP2D6
SCHEMBL21325603 0.77 CYP2D6 (0.65) KCNH2TLR7TLR8CYP2D6
SCHEMBL13975896 0.77 CYP2D6 (0.65) KCNH2TLR7TLR8CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimited Company (IE) 2023-09-07 — — US disclosed
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimited Company (IE) 2023-09-07 — — US disclosed
EP-4059924-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimited Company (IE) 2022-09-21 — — EP disclosed
US-20210040046-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimi (IE) 2021-02-11 — — 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-20210040046-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF HRH4, HRH3, HNMT KCNH2 968/4885TLR7 52/4885TLR8 400/4885
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF QDPR, PADI2, PEPD KCNH2 1977/4885TLR7 728/4885TLR8 584/4885

“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.

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