SCHEMBL22959033

SCHEMBL22959033

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.46
▸ HSP90AB1 P08238 1/20 0.37
▸ DHFR P00374 7/20 0.36
▸ DCPS Q96C86 3/20 0.36
▸ CYP2D6 P10635 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ ACHE P22303 1/20 0.32

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
SCHEMBL22958991 0.91 KCNH2 (0.52) KCNH2HSP90AB1DHFRDCPSCYP2D6
SCHEMBL22959044 0.91 KCNH2 (0.52) KCNH2HSP90AB1DHFRDCPSCYP2D6
SCHEMBL22959045 0.84 KCNH2 (0.52) KCNH2HSP90AB1DHFRDCPSCYP2D6
SCHEMBL22958971 0.84 KCNH2 (0.52) KCNH2HSP90AB1DHFRDCPSCYP2D6
SCHEMBL22959008 0.77 KCNH2 (0.46) KCNH2HSP90AB1DHFRDCPSCYP2D6
SCHEMBL22959041 0.74 KCNH2 (0.40) KCNH2HSP90AB1DHFRDCPSACHE
SCHEMBL22958969 0.71 KCNH2 (0.38) KCNH2HSP90AB1DHFRDCPSACHE
SCHEMBL22958979 0.70 KCNH2 (0.41) KCNH2HSP90AB1DHFRDCPSCYP2D6
SCHEMBL22959032 0.67 KCNH2 (0.62) KCNH2HSP90AB1CYP2D6
SCHEMBL13975880 0.65 KCNH2 (0.46) KCNH2HSP90AB1DHFRDCPSACHE

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 4226/4885DHFR 652/4885
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF QDPR, PADI2, PEPD KCNH2 1977/4885HSP90AB1 3596/4885DHFR 268/4885

“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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