SCHEMBL22959000

SCHEMBL22959000

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 7/20 0.39
▸ TLR8 Q9NR97 3/20 0.39
▸ HPGD P15428 2/20 0.34
▸ DHFR P00374 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NUDT1 P36639 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
SCHEMBL22958995 0.86 TLR7 (0.46) TLR7TLR8ALDH1A1
SCHEMBL22959007 0.78 EIF4A1 (0.37) TLR7TLR8KCNH2
SCHEMBL22959028 0.78 TLR7 (0.40) TLR7TLR8KCNH2
SCHEMBL22958959 0.73 ALDH1A1 (0.33) HPGDDHFRTP53KCNH2ALDH1A1
SCHEMBL15502359 0.73 TLR7 (0.61) TLR7TLR8TP53CYP3A4CYP2D6
SCHEMBL22958999 0.71 CYP2C9 (0.59) TLR7TLR8KCNH2CYP3A4CYP2D6
SCHEMBL24384575 0.71 TLR8 (0.64) TLR7TLR8KCNH2CYP2D6
SCHEMBL24384574 0.71 TLR7 (0.38) TLR7TLR8DHFRKCNH2
SCHEMBL22958984 0.70 KCNH2 (0.48) TLR7TLR8DHFRKCNH2CYP3A4
SCHEMBL22958996 0.70 KCNH2 (0.35) KCNH2CYP2D6

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 400/4885HPGD 1674/4885
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF QDPR, PADI2, PEPD TLR7 728/4885TLR8 584/4885HPGD 180/4885

“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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