SCHEMBL15748871

SCHEMBL15748871

O=C(O)c1cn2ncc(-c3ccc(Cl)cc3)c2nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.48
NPC1 O15118 8/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
MAPT P10636 7/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
KDR P35968 1/20 0.48
AHR P35869 1/20 0.41
MAP4K4 O95819 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
RPA1 P27694 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.38
KMO O15229 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
L3MBTL1 Q9Y468 2/20 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
SCHEMBL15748788 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL15748796 0.73 MAPT (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL15748776 0.70 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3499262 0.69 GABRA2 (0.46) RAB9ANPC1SMN1; SMN2MAPTAHR
SCHEMBL7618521 0.69 KDR (0.77) RAB9ANPC1SMN1; SMN2MAPTKDR
SCHEMBL28016016 0.65 MAP4K4 (0.58) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL23657692 0.65 KDR (0.59) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL7616707 0.65 KDR (1.00) RAB9ANPC1SMN1; SMN2MAPTKDR
SCHEMBL30613542 0.64 KDR (0.44) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL20723060 0.64 PIM1 (0.52) RAB9ANPC1SMN1; SMN2MAPTKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676779-B2 Small molecule CFTR correctors DISCOVERYBIOMED, INC. (US) 2017-06-13 US disclosed
US-9676779-B2 Small molecule CFTR correctors DISCOVERYBIOMED, INC. (US) 2017-06-13 US disclosed
US-20150299206-A1 SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2015-10-22 US disclosed
US-20150299206-A1 SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2015-10-22 US disclosed
WO-2014081820-A1 SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2014-05-30 WO disclosed
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 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-20150299206-A1 SMALL MOLECULE CFTR CORRECTORS CFTR, CLCN2, SLC26A4 RAB9A 185/4885NPC1 63/4885SMN1; SMN2 3872/4885
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT RAB9A 1166/4885NPC1 110/4885SMN1; SMN2 506/4885

“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.