SCHEMBL22958987

SCHEMBL22958987

CCCC/C(COC(=O)C(C)C)=N\c1nc(N)nc2c(C)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 6/20 0.35
▸ HPGD P15428 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ ADORA2A P29274 3/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ ELANE P08246 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ PARP2 Q9UGN5 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
SCHEMBL22959029 0.71 KCNH2 (0.55) KCNH2TLR8
SCHEMBL22825664 0.71 CA2 (0.36) GAAKDM4EALDH1A1TDP1ADORA2A
SCHEMBL24384569 0.71 KCNH2 (0.55) KCNH2TLR8
SCHEMBL22958983 0.70 KCNH2 (0.56) KCNH2TLR8
SCHEMBL22958984 0.65 KCNH2 (0.48) GAACYP1A2ELANEKCNH2TLR8
SCHEMBL22958996 0.64 KCNH2 (0.35) KCNH2
SCHEMBL22959036 0.63 KCNH2 (0.33) KDM4EKCNH2
SCHEMBL22958979 0.62 KCNH2 (0.41) CYP1A2HSP90AB1KCNH2
SCHEMBL19850952 0.60 ADORA2A (0.49) KDM4EHPGDALDH1A1CYP1A2ADORA2A
SCHEMBL24719004 0.60 TLR8 (0.69) KCNH2TLR8

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 GAA 3357/4885KDM4E 824/4885HPGD 1674/4885
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF QDPR, PADI2, PEPD GAA 379/4885KDM4E 2495/4885HPGD 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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