SCHEMBL4414044

SCHEMBL4414044

Cc1cnc(Nc2ccccc2-c2ccccc2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.41
LMNA P02545 4/20 0.39
MCOLN3 Q8TDD5 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
NTRK1 P04629 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
PLA2G1B P04054 1/20 0.36
KMT2A Q03164 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL3940988 0.83 ALDH1A1 (0.50) IGF1RSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL3941768 0.82 MAPK10 (0.44) IGF1RLMNASMN1; SMN2RAB9AMEN1
SCHEMBL4414071 0.79 MAPT (0.43) IGF1RLMNASMN1; SMN2RAB9AALDH1A1
SCHEMBL3943997 0.79 MAPT (0.41) SMN1; SMN2RAB9AALDH1A1MAPTMEN1
SCHEMBL3942497 0.79 IGF1R (0.50) IGF1RSMN1; SMN2RAB9AALDH1A1MAPK1
SCHEMBL3949701 0.77 HTT (0.52) LMNARAB9AALDH1A1MAPTMAPK1
SCHEMBL3945521 0.77 ALDH1A1 (0.51) IGF1RSMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL7237982 0.74 KDR (0.60)
SCHEMBL656221 0.72 IGF1R (0.65) IGF1R
SCHEMBL2060506 0.70 AURKA (0.51) IGF1RMAPK1

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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF XDH, F7, CYP4X1 IGF1R 4076/4885LMNA 1087/4885MCOLN3 2598/4885

“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.