SCHEMBL3524533

SCHEMBL3524533

CC1(O)C(=O)Nc2ccc(Br)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
GAA P10253 3/20 0.52
TP53 P04637 2/20 0.51
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
AKR1B1 P15121 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 2/20 0.45
F2 P00734 2/20 0.45
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALPL P05186 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
SCHEMBL29502068 0.86 MEN1 (0.52) LMNAMEN1KMT2AALDH1A1PKM
SCHEMBL31440532 0.86 MEN1 (0.52) LMNAMEN1KMT2AALDH1A1PKM
SCHEMBL11829 0.86 MEN1 (0.52) LMNAMEN1KMT2AALDH1A1PKM
SCHEMBL246962 0.81 IDO1 (0.56) LMNAMEN1KMT2AALDH1A1PKM
SCHEMBL20436366 0.80 CYP1A2 (0.54) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL1335631 0.79 TP53 (0.59) LMNAMEN1KMT2AALDH1A1PKM
SCHEMBL25313851 0.79 CYP1A2 (0.53) KMT2APOLBCYP2C19AKR1B1MAPT
SCHEMBL30132814 0.79 CYP1A2 (0.53) KMT2APOLBCYP2C19AKR1B1MAPT
SCHEMBL10116531 0.79 TGM2 (0.41) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL3525683 0.76 LMNA (0.55) LMNAMEN1KMT2AALDH1A1PKM

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436017-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2020-09-23 EP disclosed
US-10544147-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-20190119278-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta MERCK SHARP & DOHME CORP. (US) 2019-04-25 US disclosed
EP-3436017-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA Merck Sharp & Dohme Corp. (US) 2019-02-06 EP disclosed
WO-2017166104-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2017-10-05 WO disclosed
WO-2017166104-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2017-10-05 WO disclosed
WO-2017172507-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2017-10-05 WO disclosed
US-7645761-B2 Indoline derivatives WYETH (US) 2010-01-12 US disclosed
US-20070259944-A1 Indoline derivatives WYETH (US) 2007-11-08 US disclosed
US-7253203-B2 Indoline derivatives WYETH (US) 2007-08-07 US disclosed
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives WYETH 2003-03-13 US disclosed
US-6462032-B1 Cyclic regimens utilizing indoline derivatives WYETH 2002-10-08 US disclosed
US-20020086874-A1 Indoline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-07-04 US disclosed
CN-1350523-A Indoline derivatives as progesterone antagonists AMERICAN HOME PROD (US) 2002-05-22 CN disclosed
US-6391907-B1 ANTICANCER AGENTS; CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 US disclosed
CN-1349416-A Contraceptive compositions contaiing indoline derivatives and progestational agents AMERICAN HOME PROD (US) 2002-05-15 CN disclosed
EP-1175398-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS American Home Products Corporation (US) 2002-01-30 EP disclosed
EP-1173212-A1 CONTRACEPTIVE COMPOSITIONS CONTANING INDOLONE DERIVATIVES AND PROGESTATIONAL AGENTS American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066167-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING INDOLINE DERIVATIVES AND PROGESTATIONAL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066556-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 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 (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-20190119278-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA LMNA 3136/4885MEN1 3447/4885KMT2A 4491/4885
US-20070259944-A1 Indoline derivatives PGR, GNRHR, PRLHR LMNA 1125/4885MEN1 205/4885KMT2A 1721/4885
US-10544147-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA LMNA 3136/4885MEN1 3447/4885KMT2A 4491/4885
US-20020086874-A1 Indoline derivatives PGR, GNRHR, PRLHR LMNA 1318/4885MEN1 218/4885KMT2A 1817/4885
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives PRLHR, GNRHR, BRCA1 LMNA 839/4885MEN1 141/4885KMT2A 1295/4885

“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.