SCHEMBL6542243

SCHEMBL6542243

Cc1ccc(C(C)C)c(N)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
CD44 P16070 1/20 0.37
LMNA P02545 5/20 0.37
TRPA1 O75762 2/20 0.37
SLC6A2 P23975 2/20 0.37
HTR2B P41595 2/20 0.37
CHRM1 P11229 1/20 0.37
ADRA1A P35348 1/20 0.37
GPR55 Q9Y2T6 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
HBB P68871 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP7 Q9BQF6 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
SCHEMBL9879909 0.87 GABRA1 (0.39) POLBLMNATRPA1SLC6A2HTR2B
SCHEMBL9791485 0.86 POLB (0.39) POLBCD44LMNATRPA1SLC6A2
SCHEMBL19505690 0.81 POLB (0.34) POLBCD44LMNATRPA1SLC6A2
SCHEMBL6285831 0.79 GABRA1 (0.48) POLBLMNATRPA1SLC6A2HTR2B
SCHEMBL29502173 0.78 CD44 (0.52) POLBCD44LMNASLC6A2HTR2B
SCHEMBL399144 0.78 CD44 (0.52) POLBCD44LMNASLC6A2HTR2B
SCHEMBL409314 0.78 POLB (0.61) POLBCD44LMNAALDH1A1GAA
SCHEMBL19998489 0.77 LMNA (0.38) POLBLMNATRPA1SLC6A2HTR2B
Hydrochloric Acid SCHEMBL2860371 0.76 CD44 (0.50) POLBCD44LMNASLC6A2HTR2B
Hydrochloric Acid SCHEMBL8125648 0.74 POLB (0.58) POLBCD44LMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154976-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2019-07-24 EP disclosed
US-10100064-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2018-10-16 US disclosed
US-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP DOHME CORP. (US) 2017-04-27 US disclosed
EP-1149629-B1 Hydrogenation of aromatic amines using lithium aluminate as the catalyst support AIR PROD & CHEM (US) 2004-06-09 EP disclosed
EP-1149629-A1 Hydrogenation of aromatic amines using lithium aluminate as the catalyst support AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-10-31 EP disclosed
US-6184416-B1 THE USE OF A RHODIUM CATALYST CARRIED ON A LITHIUM ALUMINATE (LIAL5O8) SUPPORT RING HYDROGENATE AROMATIC AMINES; CATALYST SELECTIVITY; REUSE OF THE CATALYST; CAN BE USED WITH ALKALI METAL REACTION PROMOTERS; LOW WATER SOLUBILITY; KINETICS AIR PRODUCTS AND CHEMICALS, INC. 2001-02-06 US disclosed
US-6140540-A USING MIXTURE OF COBALT WITH RHODIUM, RUTHENIUM, PALLADIUM AND, OR PLATIMUM AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-10-31 US disclosed
EP-0781267-B1 METHOD OF INCREASING HYDROGENATION RATE OF AROMATIC AMINES ARCO CHEM TECH (US) 2000-02-09 EP disclosed
EP-0946533-A1 PROCESS FOR PREPARING 2,1,3-BENZOTHIADIAZOLES BAYER AG (DE) 1999-10-06 EP disclosed
WO-1998027076-A1 PROCESS FOR PREPARING 2,1,3-BENZOTHIADIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
US-5360934-A Aluminum oxide supported rhodium catalyst AIR PRODUCTS AND CHEMICALS, INC. (US) 1994-11-01 US disclosed
EP-0618188-A2 Process for the preparation of cyclohexylamines by catalytic hydrogenation of anilines AIR PRODUCTS AND CHEMICALS, INC. (US) 1994-10-05 EP disclosed
EP-0392435-B1 HYDROGENATION OF AROMATIC AMINES USING RHODIUM ON TITANIA OR ZIRCONIA SUPPORT AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-09-29 EP disclosed
EP-0335272-B1 HYDROGENATION OF AROMATIC AMINES TO PRODUCE THEIR RING HYDROGENATED COUNTERPARTS AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-09-22 EP disclosed
WO-1993016030-A1 PROMOTERS FOR HYDROGENATION OF AROMATIC AMINES OLIN CORPORATION (US) 1993-08-19 WO disclosed
US-5214212-A Salt of transition or lanthanide metal as a promoter, reaction of methylenedianiline to produce corresponding cyclohexyl compound OLIN CORPORATION (US) 1993-05-25 US disclosed
US-5026914-A Catalyst selectivity AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-06-25 US disclosed
EP-0392435-A1 Hydrogenation of aromatic amines using rhodium on titania or zirconia support AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-10-17 EP disclosed
US-4960941-A HYDROGENATION CATALYST OF RHODIUM ON TITANIA SUPPORT AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-10-02 US disclosed
EP-0335272-A2 Hydrogenation of aromatic amines to produce their ring hydrogenated counterparts AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-10-04 EP 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-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA POLB 277/4885CD44 4209/4885LMNA 3136/4885
US-10100064-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA POLB 277/4885CD44 4209/4885LMNA 3136/4885

“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.