SCHEMBL21297544

SCHEMBL21297544

COc1ccc(Cc2cnc3c(cnn3CCN3CCCC3=O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MCHR1 Q99705 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TYRO3 Q06418 2/20 0.39
KMT2A Q03164 2/20 0.39
KIT P10721 2/20 0.39
LTA4H P09960 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38

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
SCHEMBL23426162 0.79 LTA4H (0.40) ALDH1A1KDM4EHPGDTSHRMAPK1
SCHEMBL19355326 0.75 NPBWR1 (0.42) TYRO3KITLTA4HL3MBTL1PDE5A
SCHEMBL15342931 0.75 PKM (0.50) SMN1; SMN2GAAMAPK1LTA4HKDR
SCHEMBL23426122 0.74 SAE1 (0.41) MCHR1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL18329684 0.71 NPC1 (0.44) MCHR1SMN1; SMN2KDM4EGAATSHR
SCHEMBL16429902 0.71 KMT2A (0.64) MTNR1AMTNR1BSMN1; SMN2ALDH1A1KMT2A
SCHEMBL5023129 0.70 SIGMAR1 (0.45) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9491484 0.69 MTNR1A (0.63) MTNR1AMTNR1BSMN1; SMN2ALDH1A1KDM4E
SCHEMBL15473134 0.68 PDE1B (0.40) PDE1APDE1BPDE1C
SCHEMBL4509396 0.68 ACACB (0.64) MTNR1AMTNR1BSMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10391095-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-27 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-10391095-B2 DNA-PK inhibitors POLK, DTYMK, DCK MTNR1A 4526/4885MTNR1B 4505/4885MCHR1 4703/4885

“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.