SCHEMBL861938

SCHEMBL861938

CCn1cnc2cc(Br)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.63
RAB9A P51151 11/20 0.63
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
GAA P10253 3/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
KDM4E B2RXH2 7/20 0.50
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 3/20 0.47
HTT P42858 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
GFER P55789 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.44

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
SCHEMBL1940039 0.86 NPC1 (0.52) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL2949195 0.83 LMNA (0.60) NPC1RAB9AGAAHDAC1KDM4E
SCHEMBL25435222 0.81 NPC1 (0.46) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL29520558 0.81 NPC1 (0.46) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL10600757 0.80 NPC1 (0.62) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL15205395 0.79 MAPT (0.49) NPC1RAB9AHDAC1HDAC8MAPT
SCHEMBL483804 0.79 MAPT (0.49) NPC1RAB9AKMT2AMEN1HDAC1
SCHEMBL6285122 0.79 POLB (0.45) NPC1RAB9AGAAHDAC1HDAC8
SCHEMBL17678214 0.79 EGFR (0.56) NPC1RAB9AHDAC1MAPTHSD17B10
SCHEMBL29463859 0.79 NPC1 (0.44) NPC1RAB9AKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116057045-A Fibroblast growth factor receptor kinase inhibitors 金耐特生物制药公司 2023-05-02 CN disclosed
EP-4161656-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES Kinnate Biopharma Inc. (US) 2023-04-12 EP disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
EP-2634176-A1 PYRIDINE DERIVATIVE AND MEDICINAL AGENT Nippon Shinyaku Co., Ltd. (JP) 2013-09-04 EP disclosed
US-20130225548-A1 Pyridine Derivative and Medicinal Agent NIPPON SHINYAKU CO., LTD. (JP) 2013-08-29 US disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 US disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 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 (5 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA NPC1 1583/4885RAB9A 1023/4885KMT2A 2645/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA NPC1 1273/4885RAB9A 720/4885KMT2A 2282/4885
US-20130225548-A1 Pyridine Derivative and Medicinal Agent NR0B2, NR0B1, CNKSR1 NPC1 2062/4885RAB9A 726/4885KMT2A 2197/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA NPC1 1132/4885RAB9A 1064/4885KMT2A 3064/4885
US-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 NPC1 1884/4885RAB9A 1753/4885KMT2A 2353/4885

“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.