SCHEMBL18156839

SCHEMBL18156839

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5c([nH]c6ccccc65)c3-4)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 4/20 0.36
HTR2B P41595 2/20 0.36
HTR5A P47898 2/20 0.36
KIF11 P52732 1/20 0.35
MAOA P21397 1/20 0.34
PARP14 Q460N5 1/20 0.33
BCHE P06276 1/20 0.33
IDO1 P14902 2/20 0.33
PDK2 Q15119 1/20 0.33
PGR P06401 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MPL P40238 1/20 0.32
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
PBRM1 Q86U86 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 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
SCHEMBL15840202 0.91 PDK2 (0.39) TDO2HTR2BHTR5AKIF11MAOA
SCHEMBL15840203 0.91 PDK2 (0.39) TDO2HTR2BHTR5AKIF11MAOA
SCHEMBL18156838 0.89 TDO2 (0.36) TDO2HTR2BHTR5AKIF11MAOA
SCHEMBL12097032 0.88 TDO2 (0.38) TDO2HTR2BHTR5AKIF11PARP14
SCHEMBL22357442 0.85
SCHEMBL31627624 0.83 CDK4 (0.32) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL15824466 0.82 KIF11 (0.45) TDO2KIF11MAOAPARP14BCHE
SCHEMBL31632211 0.82 KIF11 (0.45) TDO2KIF11MAOAPARP14BCHE
SCHEMBL29506370 0.82 KIF11 (0.45) TDO2KIF11MAOAPARP14BCHE
SCHEMBL14681725 0.82 AHR (0.39) KIF11PDK2PGRMEN1KMT2A

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-11545634-B2 Heterocyclic spiro compounds MERCK PATENT GMBH (DE) 2023-01-03 US disclosed
US-10777750-B2 Heterocyclic spiro compounds BASF SE (DE) 2020-09-15 US disclosed
US-20200266364-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2020-08-20 US disclosed
US-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
US-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2016-10-20 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 (4 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-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 TDO2 3696/4885HTR2B 2447/4885HTR5A 2974/4885
US-11545634-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 TDO2 3696/4885HTR2B 2447/4885HTR5A 2974/4885
US-20200266364-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 TDO2 3696/4885HTR2B 2447/4885HTR5A 2974/4885
US-10777750-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 TDO2 3696/4885HTR2B 2447/4885HTR5A 2974/4885

“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.