SCHEMBL7124614

SCHEMBL7124614

C=C(C(=O)O)c1cc2c(Nc3cc(OC)cc4cccnc34)ncnc2cc1OCCCCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ STK4 Q13043 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ HDAC1 Q13547 11/20 0.40
▸ HDAC8 Q9BY41 11/20 0.40
▸ HDAC6 Q9UBN7 11/20 0.40
▸ HDAC3 O15379 10/20 0.40
▸ HDAC4 P56524 10/20 0.40
▸ HDAC7 Q8WUI4 10/20 0.40
▸ HDAC2 Q92769 10/20 0.40
▸ HDAC10 Q969S8 10/20 0.40
▸ HDAC11 Q96DB2 10/20 0.40
▸ HDAC9 Q9UKV0 10/20 0.40
▸ HDAC5 Q9UQL6 10/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ KDR P35968 7/20 0.40
▸ RET P07949 1/20 0.40
▸ KIF5B P33176 1/20 0.40

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
SCHEMBL7124603 0.85 EGFR (0.44) EGFRALDH1A1STK4KMT2AHDAC1
SCHEMBL8488612 0.85 EGFR (0.51) EGFRHDAC1HDAC8HDAC6HDAC3
SCHEMBL8155324 0.79 EGFR (0.55) EGFRHDAC1HDAC8HDAC6HDAC3
SCHEMBL7235690 0.77 EGFR (0.55) EGFR
SCHEMBL7121754 0.76 EGFR (0.54) EGFRKDRRET
SCHEMBL7125721 0.74 EGFR (0.70) EGFRKDR
SCHEMBL7238302 0.69 EGFR (0.47) EGFRHDAC1HDAC8HDAC6HDAC3
SCHEMBL7244428 0.69 EGFR (0.48) EGFRHDAC1HDAC8HDAC6HDAC3
SCHEMBL7242679 0.66 EGFR (0.74) EGFRKDR
SCHEMBL8976335 0.66 RET (0.65) EGFRKDRRETKIF5B

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-20030087881-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-05-08 — — US claimed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 — — US claimed
US-20030087881-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-05-08 — — US disclosed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 — — 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 (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-20030087881-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885ALDH1A1 2889/4885STK4 131/4885

“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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