SCHEMBL3940864

SCHEMBL3940864

CSc1ccc(Nc2ncc(C)cc2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GBA1 P04062 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIP4K2A P48426 6/20 0.40
PIP4K2C Q8TBX8 6/20 0.40
ROCK1 Q13464 1/20 0.39
KDM1A O60341 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
MAP2K1 Q02750 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL17492679 0.81 AURKA (0.44) MAPTNPC1RAB9ATP53CYP1A2
SCHEMBL3942497 0.81 IGF1R (0.50) NPC1RAB9ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL4414071 0.79 MAPT (0.43) MAPTNPC1RAB9AGBA1TP53
SCHEMBL3947432 0.78 KDM4E (0.34) MAPTALDH1A1
SCHEMBL3949566 0.78 DHODH (0.50) CYP1A2CYP2C19ADRA2AALDH1A1SYK
SCHEMBL18858405 0.78 DHODH (0.48) RAB9AMEN1KMT2A
SCHEMBL3949861 0.78 CYP2A6 (0.39) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4417849 0.77 NPC1 (0.49) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7683483 0.71 MAPT (0.47) MAPTNPC1RAB9ATP53CYP1A2
SCHEMBL3940988 0.70 ALDH1A1 (0.50) MAPTTP53CYP1A2SMN1; SMN2ADRA2A

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-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
EP-2049535-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 EP disclosed
WO-2008016184-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO 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 MAPT 4329/4885NPC1 3645/4885RAB9A 456/4885

“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.