SCHEMBL2776889

SCHEMBL2776889

Nc1nc(N)c2ccc(F)cc2n1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 7/20 0.58
DCPS Q96C86 1/20 0.53
MAP4K4 O95819 1/20 0.50
ACHE P22303 2/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL27223540 0.84 DCPS (0.53) DHFRDCPS
SCHEMBL15502381 0.81 NPC1 (0.46) DHFRACHEKCNH2
SCHEMBL558037 0.81 MPO (0.58) DHFRACHEKCNH2
SCHEMBL29767527 0.81 MPO (0.46) DHFRACHEKCNH2
SCHEMBL29224064 0.81 HTT (0.50) DHFRMAP4K4ACHE
SCHEMBL2777857 0.81 MPO (0.46) DHFRACHEKCNH2
SCHEMBL6094113 0.79 DHFR (0.72) DHFRDCPSMAP4K4ACHEKCNH2
SCHEMBL16905530 0.77 ACHE (0.49) DHFRDCPSACHE
SCHEMBL29653655 0.76 DHFR (0.58) DHFRDCPSMAP4K4ACHE
SCHEMBL12814361 0.76 HRH4 (0.58) DHFRDCPSMAP4K4

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 4 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
US-7678803-B2 Heat Shock Protein-90 inhibitors; Antiproliferative agents; cancer, inflammation, arthritis, angiogenesis, viral, fungal and malaria infections; 1-(isoquinoline, quinazoline or pyrimidino(3,2-d)pyridine-substituted)-4,5,6,7-tetrahydroindol-4-ones or 4,5,6,7-pyrazol-4-ones SERENEX, INC. (US) 2010-03-16 US disclosed
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives ESANEX, INC. 2008-03-20 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 (3 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 DHFR 652/4885DCPS 889/4885MAP4K4 686/4885
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives H1-5, NDUFS5, IL5 DHFR 327/4885DCPS 4386/4885MAP4K4 1783/4885
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF QDPR, PADI2, PEPD DHFR 268/4885DCPS 171/4885MAP4K4 254/4885

“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.