SCHEMBL16291978

SCHEMBL16291978

C[C@H](O)C(=O)N1CCC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.43
NAMPT P43490 3/20 0.41
HRH3 Q9Y5N1 4/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
SRD5A2 P31213 1/20 0.38
KMT2A Q03164 2/20 0.38
USP30 Q70CQ3 1/20 0.38
MAPT P10636 2/20 0.37
AAK1 Q2M2I8 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL16291643 1.00 SRD5A1 (0.43) SRD5A1NAMPTHRH3CA1CA2
SCHEMBL16291644 1.00 SRD5A1 (0.43) SRD5A1NAMPTHRH3CA1CA2
SCHEMBL14873228 0.86 CA1 (0.43) SRD5A1HRH3CA1CA2CA9
SCHEMBL864413 0.85 GPR119 (0.49) HRH3
SCHEMBL16292306 0.84 USP30 (0.41) SRD5A1NAMPTHRH3CA1CA2
SCHEMBL18318497 0.84 LMNA (0.48) NAMPTHRH3CA1CA2CA9
SCHEMBL18318222 0.83 KMT2A (0.44) CA1CA2CA9POLBKMT2A
SCHEMBL16292302 0.83 KMT2A (0.47) NAMPTCA1CA2CA9POLB
SCHEMBL23123193 0.82 GPR119 (0.44) SRD5A1HRH3CA1CA2CA9
SCHEMBL23123195 0.82 GPR119 (0.44) SRD5A1HRH3CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 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-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME PLK4, PLK2, PLK3 SRD5A1 1220/4885NAMPT 2242/4885HRH3 3683/4885

“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.