SCHEMBL24569378

SCHEMBL24569378

Nc1ccc(Cc2ccn3ncnc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
ENPP1 P22413 1/20 0.36
MET P08581 1/20 0.35
TNIK Q9UKE5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DYRK1A Q13627 1/20 0.35
TGFBR1 P36897 1/20 0.34
NT5E P21589 1/20 0.33
MAP4K4 O95819 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL24167370 0.80 TGFBR1 (0.37) ALDH1A1TSHRMETTNIKDYRK1A
SCHEMBL24167376 0.80 BACE1 (0.33) CYP3A4ALDH1A1TSHRMETTNIK
SCHEMBL30314920 0.80 ENPP1 (0.34) ALDH1A1ENPP1METDYRK1ATGFBR1
SCHEMBL24167631 0.80 ENPP1 (0.34) ALDH1A1ENPP1METDYRK1ATGFBR1
SCHEMBL24167293 0.79 EGFR (0.52)
SCHEMBL12487763 0.78 LOXL2 (0.39) METTNIKDYRK1ATGFBR1MAP4K4
SCHEMBL18916736 0.76 DYRK1A (0.42) TNIKDYRK1ATGFBR1MAP4K4
SCHEMBL22228642 0.75 MAP4K4 (0.41) CYP11B1CYP11B2METTNIKDYRK1A
SCHEMBL12650423 0.75 MET (0.41) TSHRMETTNIKDYRK1ATGFBR1
Hydrochloric Acid SCHEMBL22123553 0.74 DYRK1A (0.41) TNIKDYRK1ATGFBR1MAP4K4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 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-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, CHEK2 CYP3A4 1672/4885ALDH1A1 2707/4885TSHR 1389/4885

“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.