SCHEMBL544649

SCHEMBL544649

CC(C)(C)n1cc(N)c(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SRC P12931 2/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ HPGD P15428 3/20 0.42
▸ AKT1 P31749 1/20 0.37
▸ AKT2 P31751 1/20 0.37
▸ GLA P06280 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ POLB P06746 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
SCHEMBL7830699 0.83 NPC1 (0.42) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL19121456 0.80 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL23400987 0.79 AURKA (0.37) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL16917057 0.79 SRC (0.37) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL19545466 0.76 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL544412 0.76 KDM4E (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL7000689 0.74 RIPK2 (0.50) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL7077615 0.73 SRC (0.51) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL22637220 0.71 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL17619493 0.70 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025067411-A1 NEK7 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京普祺医药科技股份有限公司 2025-04-03 — — WO disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 — — US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 — — US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 — — EP disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 — — EP disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 — — US disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 — — US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 — — US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 — — US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 — — US disclosed
US-7026461-B1 Radiolabeled nucleotide triphosphate compound where at least on phosphorus atom is radioactive that serves as a substrate for a mutant form of a wild-type kinase but not the wild-type form; kits; use of subtrate in assays to determine if test compounds can modulate said mutant enzyme PRINCETON UNIVERSITY (US) 2006-04-11 — — US disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 — — US disclosed
EP-1607481-A1 Engineered protein kinases which can utilize modified nucleotide triphosphate substrates PRINCETON UNIVERSITY (US) 2005-12-21 — — EP disclosed
EP-1140938-B1 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF UNIV PRINCETON (US) 2003-08-27 — — EP disclosed
EP-1321467-A2 High affinity inhibitors for target validation and uses thereof Princeton University (US) 2003-06-25 — — EP disclosed
US-20030073218-A1 High affinity inhibitors for target validation and uses thereof PRINCETON UNIVERSITY 2003-04-17 — — US disclosed
US-20020146797-A1 Engineered protein kinases which can utilize modified nucleotide triphosphate substrates PRINCETON UNIVERSITY. 2002-10-10 — — US disclosed
US-6383790-B1 PYRAZOLO(3,4-D)PYRIMIDINE BASED COMPOUND; ANTICARCINOGENIC AGENTS; ANTITUMOR AGENTS PRINCETON UNIVERSITY 2002-05-07 — — US disclosed
EP-1140938-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF Princeton University (US) 2001-10-10 — — EP disclosed
WO-2000042042-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF PRINCETON UNIVERSITY (US) 2000-07-20 — — 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 (3 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-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 ALDH1A1 4132/4885SMN1; SMN2 2479/4885KDM4E 2538/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP ALDH1A1 2930/4885SMN1; SMN2 2281/4885KDM4E 1948/4885
US-20030073218-A1 High affinity inhibitors for target validation and uses thereof SRC, MARCKS, TEC ALDH1A1 4694/4885SMN1; SMN2 4306/4885KDM4E 1129/4885

“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.

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