SCHEMBL19216467

SCHEMBL19216467

C[C@]1(Cc2ccc3cn[nH]c3c2)C(=O)Nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 4/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ FLT3 P36888 1/20 0.52
▸ AURKB Q96GD4 1/20 0.52
▸ PIK3CD O00329 9/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ PGR P06401 1/20 0.43
▸ PDK2 Q15119 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ PIK3R1 P27986 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL7834463 0.74 PGR (0.59) CYP2C19PIK3CDEPHX2PGRPDK2
SCHEMBL2785819 0.74 ATM (0.49) PIK3CDEPHX2PGRPDK2PDK4
SCHEMBL17057542 0.71 MAPT (0.45) CYP2C19
SCHEMBL9946247 0.68 AURKB (1.00) PLK4CYP2C19FLT3AURKB
SCHEMBL9947272 0.68 AURKB (1.00) PLK4CYP2C19FLT3AURKB
SCHEMBL19216506 0.68 AURKB (1.00) PLK4CYP2C19FLT3AURKB
SCHEMBL2576459 0.68 AURKB (1.00) PLK4CYP2C19FLT3AURKB
SCHEMBL586573 0.68 AURKB (1.00) PLK4CYP2C19FLT3AURKB
SCHEMBL18559103 0.68 AURKB (1.00) PLK4CYP2C19FLT3AURKB
SCHEMBL15473365 0.68 AURKB (1.00) PLK4CYP2C19FLT3AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 — — US disclosed
US-20180105511-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'-INDOLIN]-2'-ONES UNIVERSITY HEALTH NETWORK (CA) 2018-04-19 — — US disclosed
US-20170226088-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'-INDOLIN]-2'-ONES UNIVERSITY HEALTH NETWORK (CA) 2017-08-10 — — 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 (2 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-20180105511-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'-INDOLIN]-2'-ONES IDO1, IDO2, IMPA1 PLK4 599/4885CYP2C19 108/4885FLT3 1806/4885
US-20170226088-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'-INDOLIN]-2'-ONES IDO1, IDO2, IMPA1 PLK4 599/4885CYP2C19 108/4885FLT3 1806/4885

“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.

Send feedback