SCHEMBL22959008

SCHEMBL22959008

CCCC/C(CO)=N\c1nc(N)nc2cccc(F)c12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.46
▸ HSP90AB1 P08238 1/20 0.39
▸ CYP2C9 P11712 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ PAK1 Q13153 1/20 0.35
▸ CAMK2B Q13554 1/20 0.35
▸ CAMK2G Q13555 1/20 0.35
▸ CAMK2D Q13557 1/20 0.35
▸ TAOK1 Q7L7X3 1/20 0.35
▸ DHFR P00374 3/20 0.35
▸ DCPS Q96C86 1/20 0.35
▸ TLR8 Q9NR97 2/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL22958979 0.88 KCNH2 (0.41) KCNH2HSP90AB1CYP2C9CSNK1A1CSNK1D
SCHEMBL22958984 0.87 KCNH2 (0.48) KCNH2CYP2C9CSNK1A1CSNK1DPRKCD
SCHEMBL22958963 0.86 KCNH2 (0.38) KCNH2CYP2C9CSNK1A1CSNK1DPRKCD
SCHEMBL22959037 0.85 KCNH2 (0.36) KCNH2CYP2C9CSNK1A1CSNK1DPRKCD
SCHEMBL22959041 0.85 KCNH2 (0.40) KCNH2HSP90AB1DHFRDCPS
SCHEMBL22959005 0.84 KCNH2 (0.35) KCNH2TLR8
SCHEMBL22958969 0.83 KCNH2 (0.38) KCNH2HSP90AB1DHFRDCPS
SCHEMBL22958970 0.82 KCNH2 (0.36) KCNH2CYP2C9CSNK1A1CSNK1DPRKCD
SCHEMBL22958999 0.81 CYP2C9 (0.59) KCNH2CYP2C9CSNK1A1CSNK1DPRKCD
SCHEMBL22959036 0.81 KCNH2 (0.33) KCNH2

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 4226/4885CYP2C9 88/4885
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF QDPR, PADI2, PEPD KCNH2 1977/4885HSP90AB1 3596/4885CYP2C9 41/4885

“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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