SCHEMBL27033461

SCHEMBL27033461

CN1CC(n2cc(N)cn2)C1.CN1CC(n2cc([N+](=O)[O-])cn2)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.35
PLAU P00749 2/20 0.35
ELANE P08246 2/20 0.35
KDM5A P29375 1/20 0.35
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAP3K7 O43318 1/20 0.30
TAB1 Q15750 1/20 0.30
KHK P50053 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL25238457 0.92 F2 (0.37) F2PLAUELANEALDH1A1L3MBTL1
SCHEMBL1703008 0.87 ALOX15 (0.39) F2PLAUELANEKDM5AALDH1A1
SCHEMBL15894946 0.84 KDM5A (0.40) KDM5AGAAKHK
SCHEMBL31361661 0.81 ALDH1A1 (0.36) F2PLAUELANEALDH1A1L3MBTL1
SCHEMBL9952208 0.81 ALDH1A1 (0.36) F2PLAUELANEALDH1A1L3MBTL1
SCHEMBL23612281 0.80 F2 (0.35) F2PLAUELANEKDM5AALDH1A1
SCHEMBL17027309 0.78 ALDH1A1 (0.38) ALDH1A1L3MBTL1KMT2ASIRT6
SCHEMBL23612062 0.78 GSK3B (0.34) F2PLAUELANEKDM5AL3MBTL1
SCHEMBL22518614 0.78 JAK1 (0.37) F2PLAUELANEALDH1A1GAA
SCHEMBL1558099 0.77 SIRT6 (0.40) ALDH1A1L3MBTL1SIRT6MAP3K7TAB1

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-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. 2024-03-21 US disclosed
WO-2024020380-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 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 (1 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-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE CCNI, CDK3, CDK1 F2 3569/4885PLAU 4013/4885ELANE 3534/4885

“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.