SCHEMBL22290208

SCHEMBL22290208

COC(=O)c1nccnc1-c1ccc(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
ALPL P05186 3/20 0.40
HTR5A P47898 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 2/20 0.38
ROS1 P08922 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
MAP2K4 P45985 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL17263270 0.85 ALPL (0.41) ALPLALDH1A1L3MBTL1HSD17B10MAP2K4
SCHEMBL22290171 0.77 LMNA (0.50) ALDH1A1L3MBTL1MAP2K4MAPT
SCHEMBL24987818 0.76 SCN9A (0.44) CDC7DBF4ALPLALDH1A1SCN10A
SCHEMBL30511946 0.75 SLC6A3 (0.47) CDC7DBF4ALDH1A1L3MBTL1NPSR1
SCHEMBL580981 0.75 KDM4E (0.56) ALPLL3MBTL1ALOX15MAPT
Hydrochloric Acid SCHEMBL580879 0.74 KDM4E (0.55) ALPLL3MBTL1ALOX15MAPT
SCHEMBL31590542 0.73 ALPL (0.41) ALPLALDH1A1SCN9A
SCHEMBL18003707 0.73 CDC7 (0.46) CDC7DBF4ALPLALDH1A1CNR1
SCHEMBL9907683 0.73 HTR5A (0.56) CDC7DBF4HTR5AALDH1A1MAP2K4
SCHEMBL22290204 0.73 NISCH (0.41) CDC7DBF4HTR5AALDH1A1L3MBTL1

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 5 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
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 CDC7 268/4885DBF4 3190/4885ALPL 1079/4885

“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.