SCHEMBL25955820

SCHEMBL25955820

Cc1cc(O)cc2cccc(C#N)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ESR2 Q92731 6/20 0.38
ESR1 P03372 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
ATM Q13315 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL24894399 0.84 MEN1 (0.34) TSHRMEN1KMT2AHSP90AA1ATM
SCHEMBL24663391 0.83 CYP1A1 (0.39) ESR2ESR1MEN1KMT2AHSP90AA1
SCHEMBL26782474 0.81 ESR1 (0.38) ESR2ESR1MEN1KMT2AHSP90AA1
SCHEMBL5252030 0.81 TSHR (0.44) TSHRMEN1KMT2ACA1CA2
SCHEMBL25996460 0.79 ESR2 (0.40) ESR2ESR1MEN1KMT2ACA1
SCHEMBL26173903 0.79 ESR2 (0.38) ESR2ESR1MEN1KMT2ACA1
SCHEMBL25955819 0.79 TDP1 (0.37) TSHRESR2ESR1CA1CA2
SCHEMBL24176065 0.79 ESR2 (0.36) TSHRESR2ESR1MEN1KMT2A
SCHEMBL26707303 0.79 ESR2 (0.36) TSHRESR2ESR1MEN1KMT2A
SCHEMBL26058916 0.79 NAMPT (0.41) ESR2ESR1CA1CA2ALOX15

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-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 EP 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-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF TSHR 4687/4885ESR2 4674/4885ESR1 3421/4885

“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.