SCHEMBL20032418

SCHEMBL20032418

CCC(CC)c1ccc2ncncc2c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.50
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
FGFR4 P22455 1/20 0.40
AR P10275 1/20 0.39
TDO2 P48775 1/20 0.37
BRAF P15056 2/20 0.35
NAMPT P43490 1/20 0.33
IMPDH2 P12268 1/20 0.33
MET P08581 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL21366577 0.88 PIK3CA (0.52) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL2619213 0.87 EGFR (0.50) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL2611054 0.81 EGFR (0.55) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL21164389 0.80 PIK3CA (0.48) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL23335615 0.78 EGFR (0.51) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL27666530 0.78 EGFR (0.51) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL30804805 0.77 EGFR (0.55) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL21648655 0.75 EGFR (0.49) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL18713346 0.75 MET (0.34) MET
SCHEMBL2493571 0.75 EGFR (0.46) EGFRPIK3CDPIK3CAFGFR4AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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 (8 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A EGFR 3433/4885PIK3CD 3168/4885PIK3CA 2112/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A EGFR 3433/4885PIK3CD 3168/4885PIK3CA 2112/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A EGFR 3433/4885PIK3CD 3168/4885PIK3CA 2112/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A EGFR 3433/4885PIK3CD 3168/4885PIK3CA 2112/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A EGFR 3433/4885PIK3CD 3168/4885PIK3CA 2112/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A EGFR 3433/4885PIK3CD 3168/4885PIK3CA 2112/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A EGFR 3433/4885PIK3CD 3168/4885PIK3CA 2112/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A EGFR 3433/4885PIK3CD 3168/4885PIK3CA 2112/4885

“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.