SCHEMBL22958959

SCHEMBL22958959

CCCC/C(CO)=N\c1nc(N)nc2cc(-c3nnco3)ccc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NOTUM Q6P988 4/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ NLRP3 Q96P20 1/20 0.31
▸ DHFR P00374 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.30

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
SCHEMBL22959007 0.76 EIF4A1 (0.37) KCNH2
SCHEMBL22959028 0.76 TLR7 (0.40) KCNH2
SCHEMBL22958995 0.73 TLR7 (0.46) ALDH1A1
SCHEMBL22959000 0.73 TLR7 (0.39) ALDH1A1HPGDKCNH2DHFRLMNA
SCHEMBL24719138 0.72 KCNH2 (0.37) ALDH1A1HPGDMAPK1NOTUMKCNH2
SCHEMBL24384687 0.72 TLR8 (0.60) KCNH2
SCHEMBL22958960 0.72 TLR8 (0.60) KCNH2
SCHEMBL23514083 0.69 HRH4 (0.41) KCNH2DHFR
SCHEMBL22958996 0.68 KCNH2 (0.35) KCNH2
SCHEMBL22958984 0.66 KCNH2 (0.48) KCNH2DHFR

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 ALDH1A1 1960/4885HPGD 1674/4885MAPK1 1515/4885
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF QDPR, PADI2, PEPD ALDH1A1 855/4885HPGD 180/4885MAPK1 3047/4885

“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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