SCHEMBL22958995

SCHEMBL22958995

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 16/20 0.46
▸ TLR8 Q9NR97 10/20 0.46
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL22959000 0.86 TLR7 (0.39) TLR7TLR8ALDH1A1
SCHEMBL22959028 0.78 TLR7 (0.40) TLR7TLR8
SCHEMBL22959007 0.78 EIF4A1 (0.37) TLR7TLR8
SCHEMBL15502335 0.74 TLR7 (0.60) TLR7TLR8CYP2C9
SCHEMBL22958959 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15723560 0.72 DHFR (0.50) TLR7TLR8ALDH1A1CYP1A2
SCHEMBL24384588 0.71 TLR8 (0.65) TLR7TLR8
SCHEMBL22826036 0.71 TLR8 (0.65) TLR7TLR8
SCHEMBL22958999 0.71 CYP2C9 (0.59) TLR7TLR8CYP1A2CYP2C9
SCHEMBL29492937 0.71 TLR8 (0.65) TLR7TLR8

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 TLR7 52/4885TLR8 400/4885ALDH1A1 1960/4885
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF QDPR, PADI2, PEPD TLR7 728/4885TLR8 584/4885ALDH1A1 855/4885

“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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