SCHEMBL22958991

SCHEMBL22958991

CCC[C@H](C)/C(CO)=N\c1nc(N)nc2cccc(F)c12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.52
▸ HSP90AB1 P08238 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TLR8 Q9NR97 3/20 0.35
▸ TLR7 Q9NYK1 2/20 0.35
▸ DHFR P00374 4/20 0.34
▸ DCPS Q96C86 3/20 0.34

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
SCHEMBL22959044 1.00 KCNH2 (0.52) KCNH2HSP90AB1CYP2D6TLR8TLR7
SCHEMBL22959033 0.91 KCNH2 (0.46) KCNH2HSP90AB1CYP2D6DHFRDCPS
SCHEMBL22959045 0.89 KCNH2 (0.52) KCNH2HSP90AB1CYP2D6TLR8TLR7
SCHEMBL22958971 0.89 KCNH2 (0.52) KCNH2HSP90AB1CYP2D6TLR8TLR7
SCHEMBL22959008 0.77 KCNH2 (0.46) KCNH2HSP90AB1CYP2D6TLR8TLR7
SCHEMBL22959041 0.72 KCNH2 (0.40) KCNH2HSP90AB1DHFRDCPS
SCHEMBL22958979 0.70 KCNH2 (0.41) KCNH2HSP90AB1CYP2D6DHFRDCPS
SCHEMBL22958969 0.70 KCNH2 (0.38) KCNH2HSP90AB1DHFRDCPS
SCHEMBL24384584 0.69 KCNH2 (0.85) KCNH2CYP2D6TLR8TLR7
SCHEMBL24384693 0.69 KCNH2 (0.85) KCNH2CYP2D6TLR8TLR7

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 KCNH2 968/4885HSP90AB1 4226/4885CYP2D6 32/4885
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF QDPR, PADI2, PEPD KCNH2 1977/4885HSP90AB1 3596/4885CYP2D6 50/4885

“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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