SCHEMBL1104786

SCHEMBL1104786

Cc1cccc(-c2nccc(Br)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
GRM5 P41594 1/20 0.46
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 3/20 0.44
KMO O15229 1/20 0.44
TSHR P16473 4/20 0.43
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2C9 P11712 3/20 0.43
USP2 O75604 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42

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
SCHEMBL14951065 0.82 RAB9A (0.53) RAB9AGRM5NPC1SMN1; SMN2TP53
SCHEMBL29786739 0.79 RAB9A (0.50) RAB9AGRM5NPC1SMN1; SMN2TP53
SCHEMBL10594578 0.79 RAB9A (0.50) RAB9AGRM5NPC1SMN1; SMN2TP53
SCHEMBL10595789 0.79 RAB9A (0.50) RAB9AGRM5NPC1SMN1; SMN2TP53
SCHEMBL4391847 0.79 RAB9A (0.57) RAB9AGRM5NPC1SMN1; SMN2TP53
SCHEMBL12441003 0.78 MEN1 (0.56) RAB9ANPC1SMN1; SMN2TP53CYP1A2
SCHEMBL17051577 0.78 MEN1 (0.61) RAB9AGRM5NPC1SMN1; SMN2TP53
SCHEMBL8513475 0.77 NPC1 (0.42) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL18538749 0.77 KMO (0.56) RAB9AGRM5NPC1SMN1; SMN2KMO
SCHEMBL8684507 0.77 CYP4F2 (0.40) SMN1; SMN2TP53TSHRCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153639-B2 kinase inhibitor; immunotherapy; viricides; function or behavior associated with PI3 kinase such as cancer, immune, cardiovascular, nervous system, metabolism/endocrine and neurological diseases, viral infection, inflammation; 3-(4-Pyridin-4-yl-thieno[3,2-d]pyrimidin-2-yl)-phenol F. HOFFMAN-LA ROCHE AG (CH) 2012-04-10 US disclosed
US-20090209559-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 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-20090209559-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3CD RAB9A 655/4885GRM5 1859/4885NPC1 1714/4885

“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.