SCHEMBL21325638

SCHEMBL21325638

CCCC[C@H](CO)Nc1nc(N)nc2cc(C)ccc12

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 12/20 0.85
▸ TLR8 Q9NR97 7/20 0.73
▸ TLR7 Q9NYK1 3/20 0.73
▸ CYP2D6 P10635 1/20 0.54
▸ DRD1 P21728 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ ADORA1 P30542 1/20 0.54

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
SCHEMBL24384697 1.00 KCNH2 (0.85) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL13975545 0.93 KCNH2 (0.84) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL19722979 0.93 KCNH2 (0.84) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL13975810 0.92 KCNH2 (1.00) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL13975903 0.91 KCNH2 (0.85) KCNH2TLR8TLR7
SCHEMBL22806213 0.88 TLR8 (0.73) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL21325637 0.87 KCNH2 (0.85) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL15502394 0.87 KCNH2 (0.85) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL24384557 0.87 KCNH2 (0.85) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL13975735 0.85 KCNH2 (0.86) KCNH2TLR8TLR7CYP2D6DRD1

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 7 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-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimited Company (IE) 2023-09-07 — — US disclosed
EP-4059924-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimited Company (IE) 2022-09-21 — — EP disclosed
EP-3759083-B1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF VIRUS INFECTIONS, CANCER OR ALLERGIES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-05-04 — — EP disclosed
US-20210040046-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimi (IE) 2021-02-11 — — US disclosed
WO-2020255039-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND QUINAZOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 — — WO disclosed
WO-2019166532-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimited Company (IE) 2019-09-06 — — WO 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 968/4885TLR8 400/4885TLR7 52/4885
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF QDPR, PADI2, PEPD KCNH2 1977/4885TLR8 584/4885TLR7 728/4885

“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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