SCHEMBL20575880

SCHEMBL20575880

Clc1cc(N2CCCCC2c2ccccc2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 9/20 0.42
NUDT1 P36639 2/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
ACLY P53396 1/20 0.38
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL20576681 0.83 JAK2 (0.53) PRCPJAK2JAK3SMN1; SMN2
SCHEMBL20576692 0.79 NR3C2 (0.46) PRCPNUDT1
SCHEMBL4580268 0.76 NUDT1 (0.46) NUDT1PSEN1PSEN2APH1BNCSTN
SCHEMBL22444791 0.73 CYP17A1 (0.33) PRCPTSHR
SCHEMBL29649095 0.73 CYP17A1 (0.33) PRCPTSHR
SCHEMBL22444806 0.73 CYP17A1 (0.33) PRCPTSHR
SCHEMBL83400 0.72 CUL4A (0.38) PRCPPSEN1PSEN2APH1BNCSTN
SCHEMBL22327900 0.72 NEK1 (0.44) PRCP
SCHEMBL24654724 0.72 PSEN1 (0.39) PRCPPSEN1PSEN2APH1BNCSTN
SCHEMBL16240795 0.71 NPC1 (0.48) NUDT1CHRNB2CHRNB4CHRNA3CHRNA7

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-10738033-B2 Trk inhibition NANTBIO, INC. (US) 2020-08-11 US disclosed
US-10738033-B2 Trk inhibition NANTBIO, INC. (US) 2020-08-11 US disclosed
US-20180346451-A1 TRK INHIBITION NANTBIO, INC. 2018-12-06 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-20180346451-A1 TRK INHIBITION NGFR, NGF, NTRK1 PRCP 3333/4885NUDT1 585/4885PSEN1 2950/4885
US-10738033-B2 Trk inhibition NGF, NGFR, NTRK2 PRCP 3369/4885NUDT1 994/4885PSEN1 2878/4885

“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.