SCHEMBL22606646

SCHEMBL22606646

O=C(NCc1nc2ccccc2[nH]1)C1CCN(Cc2c[nH]c3ccc(C(F)(F)F)cc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 3/20 0.54
▸ KCNH2 Q12809 2/20 0.51
▸ MCHR1 Q99705 1/20 0.51
▸ CACNA1G O43497 1/20 0.47
▸ CACNA1B Q00975 1/20 0.47
▸ BCHE P06276 4/20 0.46
▸ ACHE P22303 4/20 0.46
▸ ATM Q13315 1/20 0.45
▸ SRPK1 Q96SB4 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ UBE2M P61081 1/20 0.42
▸ DCUN1D1 Q96GG9 1/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL22606643 0.91 SOS1 (0.48) SOS1KCNH2MCHR1CACNA1GCACNA1B
SCHEMBL22606653 0.90 LMNA (0.47) SOS1BCHEACHEATM
SCHEMBL22606648 0.90 SOS1 (0.48) SOS1KCNH2MCHR1BCHEACHE
SCHEMBL22607143 0.90 SOS1 (0.52) SOS1BCHEACHECYP2D6
SCHEMBL22606641 0.89 SOS1 (0.47) SOS1KCNH2MCHR1CACNA1GCACNA1B
SCHEMBL22607008 0.88 BCHE (0.58) SOS1BCHEACHECYP2D6DRD2
SCHEMBL22607144 0.88 SOS1 (0.53) SOS1BCHEACHECYP2D6
SCHEMBL22606654 0.88 BCHE (0.49) SOS1BCHEACHESRPK1CYP2D6
SCHEMBL22606664 0.87 BCHE (0.47) KCNH2MCHR1BCHEACHECYP2D6
SCHEMBL22607101 0.84 SOS1 (0.51) SOS1BCHEACHESRPK1CYP2D6

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-20200339537-A1 NOVEL COMPOUND AS INHIBITOR AGAINST BINDING OF PF34 PROTEIN TO NEDD4-1 PROTEIN AND USE THEREOF ENHANCEDBIO, INC. (KR) 2020-10-29 — — 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-20200339537-A1 NOVEL COMPOUND AS INHIBITOR AGAINST BINDING OF PF34 PROTEIN TO NEDD4-1 PROTEIN AND USE THEREOF NEDD4, PFDN1, PF4 SOS1 1806/4885KCNH2 4277/4885MCHR1 4698/4885

“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.

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