SCHEMBL22959007

SCHEMBL22959007

CCCC/C(CO)=N\c1nc(N)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EIF4A1 P60842 1/20 0.37
▸ KCNH2 Q12809 6/20 0.36
▸ TLR8 Q9NR97 6/20 0.35
▸ TLR7 Q9NYK1 2/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ APP P05067 1/20 0.32
▸ HEXA P06865 1/20 0.32
▸ HEXB P07686 1/20 0.32
▸ F7 P08709 1/20 0.31
▸ F3 P13726 1/20 0.31

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
SCHEMBL22959028 0.80 TLR7 (0.40) KCNH2TLR8TLR7
SCHEMBL22958995 0.78 TLR7 (0.46) TLR8TLR7
SCHEMBL22959000 0.78 TLR7 (0.39) KCNH2TLR8TLR7
SCHEMBL22959037 0.76 KCNH2 (0.36) KCNH2TLR8TLR7
SCHEMBL22958959 0.76 ALDH1A1 (0.33) KCNH2
SCHEMBL22958996 0.74 KCNH2 (0.35) KCNH2
SCHEMBL22959008 0.72 KCNH2 (0.46) KCNH2TLR8TLR7
SCHEMBL22959005 0.72 KCNH2 (0.35) KCNH2TLR8
SCHEMBL23514083 0.71 HRH4 (0.41) EIF4A1KCNH2
SCHEMBL22958984 0.70 KCNH2 (0.48) KCNH2TLR8TLR7

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-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimited Company (IE) 2023-09-07 — — US 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 EIF4A1 372/4885KCNH2 968/4885TLR8 400/4885
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF QDPR, PADI2, PEPD EIF4A1 2446/4885KCNH2 1977/4885TLR8 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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