SCHEMBL22290243

SCHEMBL22290243

OCc1ncnn1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 3/20 0.35
PTGS2 P35354 1/20 0.34
NR3C1 P04150 3/20 0.34
CYP17A1 P05093 3/20 0.34
CYP1A2 P05177 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL24185354 0.82 CA1 (0.39) LMNACA1CA2CA4CA9
SCHEMBL22290431 0.82 CYP1A2 (0.39) LMNACA1CA2CA4CA9
SCHEMBL22309937 0.82 SMN1; SMN2 (0.37) LMNACYP3A4CYP2C9KDM4EMEN1
SCHEMBL25249100 0.78 IDO1 (0.40) CYP3A4CYP2C9
SCHEMBL4045101 0.72 FFAR4 (0.37) KDM4EMEN1KMT2ACYP11B1
SCHEMBL13924970 0.72 MPO (0.31)
SCHEMBL21849283 0.72 CYP1A2 (0.41) LMNACYP2C9KDM4EMEN1KMT2A
SCHEMBL22290289 0.71 CASP3 (0.49) LMNAMEN1KMT2ANR3C1CYP1A2
SCHEMBL11378138 0.68 ESR1 (0.38) LMNACYP3A4CYP2C9KDM4EMEN1
SCHEMBL22310226 0.68 PDE4A (0.48) LMNATP53SMN1; SMN2

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-20210387968-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2021-12-16 US disclosed
EP-3917919-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2021-12-08 EP disclosed
WO-2020160213-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-08-06 WO disclosed
WO-2020160213-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-08-06 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-20210387968-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLH, POLB LMNA 2425/4885CA1 3827/4885CA2 3964/4885

“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.